SCHEMBL1736264

SCHEMBL1736264

CC(C)(C)P(Cc1ccc2ccccc2c1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2A6 P11509 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPRT1 P00492 1/20 0.34
CYP2D6 P10635 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL29703806 1.00 HSD17B10 (0.38) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL16343345 0.84 CYP3A4 (0.33) HSD17B10CYP1A2CYP2C19CYP2C9CYP2A6
SCHEMBL1423533 0.84 CYP2A6 (0.34) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL16343301 0.82
SCHEMBL16343275 0.82 NCF1 (0.33) CYP1A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL2145669 0.82 MEN1 (0.34) GAA
SCHEMBL16343144 0.81
SCHEMBL16343293 0.80 NPC1 (0.32) ALDH1A1KDM4EMAPTCYP2D6HPGD
SCHEMBL16343218 0.80 KDM4E (0.32) KDM4E
SCHEMBL3680960 0.80 CYP2D6 (0.48) CYP1A2CYP2C19CYP2C9TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN claimed
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP claimed
US-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US claimed
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2015-04-09 US claimed
EP-2007703-B1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INT UK LTD (GB) 2013-12-18 EP claimed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US claimed
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-05 US claimed
EP-2167232-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM Lucite International UK Limited (GB) 2010-03-31 EP claimed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US claimed
WO-2009010782-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2009-01-22 WO claimed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP claimed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO claimed
US-11958810-B2 Preparation of optionally substituted dihydroisoquinolines BASF SE (DE) 2024-04-16 US disclosed
US-11613549-B2 Bromination of pyridine derivatives BASF SE (DE) 2023-03-28 US disclosed
EP-3743416-B1 HALOGENATION OF PYRIDINE DERIVATIVES BASF SE (DE) 2023-03-15 EP disclosed
US-11591312-B2 Halogenation of pyridine derivatives BASF SE (DE) 2023-02-28 US disclosed
EP-1713582-A1 A CATALYST SYSTEM Lucite International UK Limited (GB) 2006-10-25 EP disclosed
EP-1651587-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2006-05-03 EP disclosed
WO-2005079981-A1 A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2005-09-01 WO disclosed
WO-2005003070-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2005-01-13 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 (6 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-11958810-B2 Preparation of optionally substituted dihydroisoquinolines SDHA, SDHB, QDPR HSD17B10 1013/4885CYP1A2 60/4885CYP2C19 87/4885
US-11591312-B2 Halogenation of pyridine derivatives CYP2F1, CYP4F2, FLI1 HSD17B10 3499/4885CYP1A2 11/4885CYP2C19 26/4885
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK HSD17B10 841/4885CYP1A2 290/4885CYP2C19 669/4885
US-11613549-B2 Bromination of pyridine derivatives NDUFV2, NDUFV1, NDUFV3 HSD17B10 2118/4885CYP1A2 24/4885CYP2C19 104/4885
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 HSD17B10 868/4885CYP1A2 182/4885CYP2C19 172/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 HSD17B10 4677/4885CYP1A2 2170/4885CYP2C19 2208/4885

“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.