SCHEMBL971239

SCHEMBL971239

O=Cc1cccc2ccc(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
XPO1 O14980 1/20 0.47
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 2/20 0.44
MEN1 O00255 2/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 3/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PRKD3 O94806 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 1/20 0.44
PRKCG P05129 1/20 0.44
CYP1A2 P05177 1/20 0.44
PRKCB P05771 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
Hydrochloric Acid SCHEMBL14686366 0.98 CYP2A6 (0.50) CYP2A6XPO1LMNATDP1KMT2A
SCHEMBL15842322 0.77 KDM4E (0.44) CYP2A6XPO1LMNATDP1KMT2A
SCHEMBL30524350 0.75 CYP2A6 (0.58) CYP2A6XPO1LMNATDP1THRB
SCHEMBL5535389 0.74 CYP2A6 (0.56) CYP2A6XPO1LMNATDP1THRB
SCHEMBL3287800 0.73 XPO1 (0.68) CYP2A6XPO1LMNATDP1THRB
Coumarin SCHEMBL28473865 0.73 MCL1 (0.62) CYP2A6LMNATDP1KMT2ATHRB
Coumarin SCHEMBL28899947 0.73 MCL1 (0.62) CYP2A6LMNATDP1KMT2ATHRB
8-Hydroxycoumarin SCHEMBL1366927 0.72 MCL1 (0.62) CYP2A6XPO1LMNATDP1THRB
SCHEMBL3282340 0.72 CYP2A6 (0.55) CYP2A6XPO1LMNATDP1THRB
SCHEMBL8684869 0.72 CYP2A6 (0.55) CYP2A6XPO1LMNATDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104237194-B Fluorescent spectrometry for detecting micro-Mg2+, Zn2+ or F- 贵州大学 2017-01-11 CN claimed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
CN-104237194-B Fluorescent spectrometry for detecting micro-Mg2+, Zn2+ or F- 贵州大学 2017-01-11 CN disclosed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
CN-104277023-A Preparation method of 8-formyl coumarin derivative SHANGHAI AIPU PLANT TECHNOLOGY CO LTD 2015-01-14 CN disclosed
CN-104277023-A Preparation method of 8-formyl coumarin derivative SHANGHAI AIPU PLANT TECHNOLOGY CO LTD 2015-01-14 CN disclosed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US disclosed
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 WO 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 (4 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-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A CYP2A6 1537/4885XPO1 395/4885LMNA 1762/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A CYP2A6 1437/4885XPO1 464/4885LMNA 1585/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A CYP2A6 1437/4885XPO1 464/4885LMNA 1585/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A CYP2A6 1314/4885XPO1 722/4885LMNA 2076/4885

“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.