SCHEMBL820486

SCHEMBL820486

CC(C)(C)c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
CYP2A6 P11509 4/20 0.46
ADRB2 P07550 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ASIC3 Q9UHC3 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
BCL2L1 Q07817 1/20 0.44
CA2 P00918 2/20 0.42
APP P05067 2/20 0.41
AGXT P21549 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17676140 0.85 MGLL (0.37) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL354292 0.84 CYP2A6 (0.48) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL2387149 0.83 MGLL (0.47) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL16009726 0.83 MGLL (0.52) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL28019294 0.81 MGLL (0.50) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL12778749 0.79 MGLL (0.44) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL2387733 0.79 CYP2A6 (0.44) MGLLCYP2A6ADRB2HDAC3HDAC4
SCHEMBL2388308 0.79 MGLL (0.44) MGLLCYP2A6ADRB2ASIC3LOXL2
SCHEMBL17676139 0.79 PIK3CA (0.42) HDAC1APPHSD17B1HSD17B2
SCHEMBL2708073 0.78 STS (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 470 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230372375-A1 SGLT-2 INHIBITOR SARCOSINE CO-CRYSTAL, PREPARATION METHOD THEREFOR AND USE THEREOF OMNISINO HEALTH (TIANJIN) MEDICAL TECHNOLOGY CO. LTD (CN) 2023-11-23 US disclosed
US-20230372375-A1 SGLT-2 INHIBITOR SARCOSINE CO-CRYSTAL, PREPARATION METHOD THEREFOR AND USE THEREOF OMNISINO HEALTH (TIANJIN) MEDICAL TECHNOLOGY CO. LTD (CN) 2023-11-23 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
EP-1715025-A1 METHOD OF DESULFURIZING HYDROCARBON OIL JAPAN ENERGY CORPORATION (JP) 2006-10-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 MGLL 402/4885CYP2A6 153/4885ADRB2 1033/4885
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 MGLL 4563/4885CYP2A6 798/4885ADRB2 141/4885
US-20230372375-A1 SGLT-2 INHIBITOR SARCOSINE CO-CRYSTAL, PREPARATION METHOD THEREFOR AND USE THEREOF SLC5A2, SLC5A1, SLC2A2 MGLL 2376/4885CYP2A6 1652/4885ADRB2 1121/4885
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R MGLL 3315/4885CYP2A6 2231/4885ADRB2 286/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 MGLL 4033/4885CYP2A6 805/4885ADRB2 48/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 MGLL 2220/4885CYP2A6 1948/4885ADRB2 280/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 MGLL 4582/4885CYP2A6 481/4885ADRB2 3955/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MGLL 400/4885CYP2A6 4174/4885ADRB2 99/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT MGLL 3525/4885CYP2A6 668/4885ADRB2 2137/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 MGLL 4412/4885CYP2A6 3572/4885ADRB2 1069/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 MGLL 906/4885CYP2A6 4656/4885ADRB2 3740/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 MGLL 3431/4885CYP2A6 947/4885ADRB2 4778/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.