SCHEMBL6316182

SCHEMBL6316182

c1ccc2c(c1)ccc1o[pH]oc3ccc4ccccc4c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HPRT1 P00492 1/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ AHR P35869 3/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ MAPK3 P27361 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ HNF4A P41235 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ CYP3A4 P08684 2/20 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
SCHEMBL29463989 1.00 HSD17B10 (0.46) HSD17B10ALDH1A1TDP1TSHRCYP2A6
SCHEMBL16212768 0.85 CYP2A6 (0.42) ALDH1A1TDP1CYP2A6L3MBTL1CYP1A2
SCHEMBL20530598 0.85 CYP1A2 (0.48) HSD17B10ALDH1A1TDP1TSHRCYP2A6
SCHEMBL30091394 0.81 TDP1 (0.55) HSD17B10ALDH1A1TDP1TSHRCYP2A6
SCHEMBL415466 0.81 TDP1 (0.55) HSD17B10ALDH1A1TDP1TSHRCYP2A6
SCHEMBL20480431 0.81 MCL1 (0.42) HSD17B10ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL1148375 0.80 MCL1 (0.35) HSD17B10ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL14406000 0.80 MAPT (0.38) TDP1L3MBTL1CYP1A2ABCG2HNF4A
SCHEMBL14382011 0.78 KDM4E (0.34) HSD17B10ALDH1A1TDP1TSHRCYP1A2
SCHEMBL14406007 0.77 KMT2A (0.40) CYP1A2HPGDCYP3A4MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4190769-A1 APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE Zhejiang University (CN) 2023-06-07 — — EP disclosed
EP-1521736-B1 MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS INVISTA TECHNOLOGIES SARL (CH) 2017-09-13 — — EP disclosed
WO-2015008097-A1 ASYMMETRIC SYNTHESIS OF CHIRAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-22 — — WO disclosed
US-8889805-B2 Carboxylate metal complex and catalyst for olefin polymerization SHOWA DENKO K.K. (JP) 2014-11-18 — — US disclosed
US-8889805-B2 Carboxylate metal complex and catalyst for olefin polymerization SHOWA DENKO K.K. (JP) 2014-11-18 — — US disclosed
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 — — US disclosed
US-20130158223-A1 CARBOXYLATE METAL COMPLEX AND CATALYST FOR OLEFIN POLYMERIZATION THE UNIVERSITY OF TOKYO (JP) 2013-06-20 — — US disclosed
US-20130158223-A1 CARBOXYLATE METAL COMPLEX AND CATALYST FOR OLEFIN POLYMERIZATION THE UNIVERSITY OF TOKYO (JP) 2013-06-20 — — US disclosed
EP-1884509-B1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2013-01-02 — — EP disclosed
WO-2008148202-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-12-11 — — WO disclosed
EP-1678113-B1 METHOD FOR THE CONTINUOUS PRODUCTION OF ALDEHYDES BASF SE (DE) 2008-07-16 — — EP disclosed
EP-1506148-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP ASSETS BV (NL) 2008-05-28 — — EP disclosed
WO-2007078859-A2 TETRAPHOSPHORUS LIGANDS FOR CATALYTIC HYDROFORMYLATION AND RELATED REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2007-07-12 — — WO disclosed
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-12-29 — — US disclosed
EP-0684249-B1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes TAKASAGO PERFUMERY CO LTD (JP) 2003-02-19 — — EP disclosed
US-5530150-A HAVING PHOSPHINE AND PHOSPHITE GROUPS IN SAME MOLECULE; CATALYST SELECTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-06-25 — — US 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 (2 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-20130158223-A1 CARBOXYLATE METAL COMPLEX AND CATALYST FOR OLEFIN POLYMERIZATION ODC1, AOC2, SCO2 HSD17B10 292/4885ALDH1A1 1478/4885TDP1 4829/4885
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation COXFA4L2, CYP2F1, ABCG2 HSD17B10 2715/4885ALDH1A1 964/4885TDP1 3783/4885

“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.

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