SCHEMBL2387733

SCHEMBL2387733

CCC(C)(C)c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
ADRB2 P07550 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
AGXT P21549 1/20 0.41
BCL2L1 Q07817 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
RAB9A P51151 1/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
APP P05067 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL2388169 0.81 CYP2A6 (0.42) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL820486 0.79 MGLL (0.50) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL12470420 0.79 ALDH1A1 (0.31)
SCHEMBL354292 0.78 CYP2A6 (0.48) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL11893293 0.77 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL2387149 0.76 MGLL (0.47) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL16009726 0.76 MGLL (0.52) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL30099136 0.75 CYP2A6 (0.45) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL1765981 0.75 CYP2A6 (0.45) CYP2A6ADRB2ASIC3LOXL2MGLL
SCHEMBL28019294 0.74 MGLL (0.50) CYP2A6ADRB2ASIC3LOXL2MGLL

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059951-A1 INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed
CN-105992808-B Use of magnetic nanoparticles for depleting aromatic compounds in oil 综合E&P丹麦股份有限公司 2018-10-19 CN disclosed
US-9969943-B2 Use of magnetic nanoparticles for depletion of aromatic compounds in oil MAERSK OLIE OG GAS A/S (DK) 2018-05-15 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20160272898-A1 USE OF MAGNETIC NANOPARTICLES FOR DEPLETION OF AROMATIC COMPOUNDS IN OIL TOTAL E&P DANMARK A/S (DK) 2016-09-22 US disclosed
WO-2015044449-A1 USE OF MAGNETIC NANOPARTICLES FOR DEPLETION OF AROMATIC COMPOUNDS IN OIL MÆRSK OLIE OG GAS A/S (DK) 2015-04-02 WO disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8021540-B2 Method of desulfurizing hydrocarbon oil JAPAN ENERGY CORPORATION (JP) 2011-09-20 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
US-20100227229-A1 SOLID ACID, METHOD FOR PREPARING THE SOLID ACID, AND METHOD FOR DESULFURIZING HYDROCARBON OIL USING THE SOILD ACID AS DESULFURIZING AGENT JAPAN ENERGY CORPORATION (JP) 2010-09-09 US disclosed
EP-2202204-A1 SOLID ACID, PROCESS FOR PRODUCING THE SOLID ACID, METHOD FOR DESULFURIZING HYDROCARBON OIL USING SOLID ACID AS DESULFURIZING AGENT Japan Energy Corporation (JP) 2010-06-30 EP disclosed
US-20100155303-A1 METHOD FOR DESULFURIZATION OF HYDROCARBON OIL JAPAN ENERGY CORPORATION (JP) 2010-06-24 US disclosed
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. 2010-06-10 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090000990-A1 Method of Desulfurizing Hydrocarbon Oil JAPAN ENERGY CORPORATION (JP) 2009-01-01 US disclosed
EP-1923451-A1 METHOD FOR DESULFURIZATION OF HYDROCARBON OIL JAPAN ENERGY CORPORATION (JP) 2008-05-21 EP disclosed
CN-1914298-A Method of desulfurizing hydrocarbon oil JAPAN ENERGY CORP (JP) 2007-02-14 CN 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 (3 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-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD CYP2A6 3338/4885ADRB2 4652/4885ASIC3 4215/4885
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors TMPRSS15, PRSS1, SPINT2 CYP2A6 678/4885ADRB2 4742/4885ASIC3 3429/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 CYP2A6 2606/4885ADRB2 4513/4885ASIC3 1590/4885

“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.