SCHEMBL800706

SCHEMBL800706

CC(C)(C)c1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CYP2A6 P11509 2/20 0.44
FLT3 P36888 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.42
TYR P14679 1/20 0.42
DAO P14920 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 1/20 0.42
NT5E P21589 1/20 0.42

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
SCHEMBL24473251 0.83 ALOX15 (0.36) CYP2A6HSD17B10TDP1MAOBMAOA
SCHEMBL5776749 0.83 FLT3 (0.46) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL8036000 0.83 KDM4E (0.46) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL23692162 0.83 MAOB (0.43) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL28018770 0.82 KDM4E (0.44) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL10287250 0.80 LOXL2 (0.43) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL13713849 0.80 CYP19A1 (0.42) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL6000886 0.79 CYP2A6 (0.42) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL23474899 0.79 MAOB (0.38) KDM4ECYP2A6FLT3LOXL2MGLL
SCHEMBL21275553 0.79 LOXL2 (0.42) KDM4ECYP2A6FLT3LOXL2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
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-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 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-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1013651-B1 O-(PERFLUOROALKYL)DIBENZOFURANIUM SALT DERIVATIVES, INTERMEDIATES FOR THE PREPARATION OF THE SAME, PROCESS FOR THE PREPARATION OF THE INTERMEDIATES, PERFLUOROALKYLATING AGENTS, AND PROCESS FOR PERFLUOROALKYLATION DAIKIN IND LTD (JP) 2007-05-30 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-6239289-B1 PERFLUOROALKYLATING A NUCLEOPHILE; STABILITY DAIKIN INDUSTRIES LTD. (JP) 2001-05-29 US disclosed
EP-1013651-A1 O-(PERFLUOROALKYL)DIBENZOFURANIUM SALT DERIVATIVES, INTERMEDIATES FOR THE PREPARATION OF THE SAME, PROCESS FOR THE PREPARATION OF THE INTERMEDIATES, PERFLUOROALKYLATING AGENTS, AND PROCESS FOR PERFLUOROALKYLATION Daikin Industries, Limited (JP) 2000-06-28 EP disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 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 (9 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC KDM4E 1736/4885CYP2A6 233/4885FLT3 4330/4885
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 KDM4E 2864/4885CYP2A6 765/4885FLT3 3281/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 KDM4E 895/4885CYP2A6 805/4885FLT3 3163/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 KDM4E 1958/4885CYP2A6 553/4885FLT3 3855/4885
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF CYP4A11, CYP11B2, NQO1 KDM4E 2006/4885CYP2A6 146/4885FLT3 1161/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC KDM4E 951/4885CYP2A6 3744/4885FLT3 105/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 KDM4E 1794/4885CYP2A6 3209/4885FLT3 424/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 KDM4E 1472/4885CYP2A6 107/4885FLT3 2256/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KDM4E 4019/4885CYP2A6 4656/4885FLT3 3948/4885

“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.