SCHEMBL1736263

SCHEMBL1736263

CC(C)(C)C(P)(c1ccc2ccccc2c1C(P)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.39
CYP2A6 P11509 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 2/20 0.37
CYP1A2 P05177 2/20 0.35
HPGD P15428 4/20 0.35
HIF1A Q16665 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP1B1 Q16678 1/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3680957 0.79 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL4124570 0.72 HSD17B10 (0.46) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL22760235 0.72 HSD17B10 (0.42) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL5928467 0.71 NQO2 (0.37) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL15910482 0.71 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL15910481 0.71 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL9624177 0.71 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL34188 0.70 ALDH1A1 (0.40) ALDH1A1TSHRTDP1MAPK1
SCHEMBL29624141 0.70 ALDH1A1 (0.40) ALDH1A1TSHRTDP1MAPK1
SCHEMBL2994685 0.69 PTPRC (0.31) ALDH1A1CYP2A6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US 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
US-20220089559-A1 PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS BASF SE (DE) 2022-03-24 US disclosed
US-11192873-B2 Process for the preparation of unsaturated carboxylic acids by carbonylation of allyl alcohols and their acylation products BASF SE (DE) 2021-12-07 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US disclosed
EP-2094635-A1 CARBONYLATION OF CONJUGATED DIENES Lucite International UK Limited (GB) 2009-09-02 EP disclosed
US-20090216041-A1 Catalyst System LUCITE INTERNATIONAL UK LIMITED (GB) 2009-08-27 US disclosed
US-20090208390-A1 MIXING APPARATUS LUCITE INTERNATIONAL UK LIMITED (GB) 2009-08-20 US disclosed
WO-2008075108-A1 CARBONYLATION OF CONJUGATED DIENES LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-26 WO disclosed
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2008-02-28 US disclosed
US-20070282124-A1 Catalyst System LUCENT INTERNATIONAL UK LIMITED (GB) 2007-12-06 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 (11 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 1013/4885ALDH1A1 408/4885TSHR 4509/4885
US-11591312-B2 Halogenation of pyridine derivatives CYP2F1, CYP4F2, FLI1 HSD17B10 3499/4885ALDH1A1 265/4885TSHR 473/4885
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK HSD17B10 841/4885ALDH1A1 275/4885TSHR 3477/4885
US-20090216041-A1 Catalyst System CBS, SMS, POF1B HSD17B10 523/4885ALDH1A1 1779/4885TSHR 3967/4885
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds ETV6, DHPS, ELOVL6 HSD17B10 1005/4885ALDH1A1 1441/4885TSHR 4811/4885
US-11192873-B2 Process for the preparation of unsaturated carboxylic acids by carbonylation of allyl alcohols and their acylation products ADH5, ADH1A, ACOX3 HSD17B10 138/4885ALDH1A1 36/4885TSHR 1454/4885
US-11613549-B2 Bromination of pyridine derivatives NDUFV2, NDUFV1, NDUFV3 HSD17B10 2118/4885ALDH1A1 198/4885TSHR 2665/4885
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 HSD17B10 868/4885ALDH1A1 1228/4885TSHR 4261/4885
US-20220089559-A1 PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS ADH5, ADH1A, ACOX3 HSD17B10 138/4885ALDH1A1 36/4885TSHR 1454/4885
US-20070282124-A1 Catalyst System SMS, COASY, ABCB7 HSD17B10 1179/4885ALDH1A1 3004/4885TSHR 3091/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 HSD17B10 4677/4885ALDH1A1 3926/4885TSHR 3389/4885

“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.