SCHEMBL34188

SCHEMBL34188

CC(C)(C)C(P)(c1ccccc1C(P)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPK1 P28482 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL29624141 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL4449613 0.90 ALDH1A1 (0.34) ALDH1A1TSHRTDP1CA2MAPK1
SCHEMBL30734357 0.87 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CA2
SCHEMBL5928467 0.79 NQO2 (0.37) ALDH1A1TSHRTDP1CA2MAPK1
SCHEMBL3680957 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2KIF11
SCHEMBL27780028 0.79 ALDH1A1 (0.37) ALDH1A1TSHRTDP1MAPK1
SCHEMBL5598984 0.78
SCHEMBL27890919 0.78 ALDH1A1 (0.34) ALDH1A1TSHRTDP1
SCHEMBL2994800 0.76 ALOX5 (0.36) ALDH1A1KIF11
SCHEMBL2999177 0.76 CA2 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637412-B2 Preparation of aromatic carboxyamides by a palladium-catalyzed carbonylation reaction BASF SE (DE) 2026-05-26 US claimed
EP-4143158-B1 PREPARATION OF AROMATIC CARBOXYAMIDES BY PALLADIUM-CATALYZED CARBONYLATION REACTION BASF SE (DE) 2025-10-01 EP claimed
EP-4143159-B1 PREPARATION OF AROMATIC CARBOXYAMIDES BY A PALLADIUM-CATALYZED CARBONYLATION REACTION BASF SE (DE) 2024-04-10 EP claimed
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP claimed
US-20230339847-A1 PREPARATION OF AROMATIC CARBOXYAMIDES BY A PALLADIUM-CATALYZED CARBONYLATION REACTION BASF SE (DE) 2023-10-26 US claimed
EP-3374343-B1 METHODS OF MAKING 1,19-NONADECANEDIESTER AND DERIVATIVES THEREOF BATTELLE MEMORIAL INSTITUTE (US) 2023-10-25 EP claimed
US-20230167050-A1 PREPARATION OF AROMATIC CARBOXYAMIDES BY PALLADIUM-CATALYZED CARBONYLATION REACTION BASF SE (DE) 2023-06-01 US claimed
WO-2022136049-A2 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2022-06-30 WO claimed
EP-2981560-B1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD LLC 2 (US) 2021-10-13 EP claimed
US-20200247834-A1 NOVEL COMPOUNDS AND PROCESS FOR PREPARATION OF THE SAME FROM CASHEW NUT SHELL LIQUID (CNSL) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-08-06 US claimed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO 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-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 EP claimed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US claimed
EP-1263713-B2 PROCESS FOR THE CARBONYLATION OF PENTENENITRILE SHELL INT RESEARCH (NL) 2008-08-20 EP claimed
EP-1565425-B1 Production process of a lactate ester or acid LUCITE INT UK LTD (GB) 2008-02-20 EP claimed
US-6743911-B2 PENTENENITRILE REACTED WITH CARBON MONOXIDE AND WATER OR ALCOHOL IN THE PRESENCE OF A SOURCE OF GROUP VIII METAL AND A BIDENTATE PHOSPHINE, ARSINE AND/OR STIBINE LIGAND TO FORM CYANOVALERIC ACID OR ESTER SHELL OIL COMPANY 2004-06-01 US claimed
EP-1263713-B1 PROCESS FOR THE CARBONYLATION OF PENTENENITRILE SHELL INT RESEARCH (NL) 2004-05-12 EP claimed
EP-1064288-B1 PROCESS FOR THE PREPARATION OF BISPHOSPHINES LUCITE INT UK LTD (GB) 2003-05-02 EP claimed

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-12637412-B2 Preparation of aromatic carboxyamides by a palladium-catalyzed carbonylation reaction CBR3, CBR1, AOC1 ALDH1A1 976/4885TSHR 4257/4885TDP1 3067/4885
US-20230167050-A1 PREPARATION OF AROMATIC CARBOXYAMIDES BY PALLADIUM-CATALYZED CARBONYLATION REACTION CBR3, CBR1, PAH ALDH1A1 1189/4885TSHR 4713/4885TDP1 3342/4885
US-20200247834-A1 NOVEL COMPOUNDS AND PROCESS FOR PREPARATION OF THE SAME FROM CASHEW NUT SHELL LIQUID (CNSL) NOTUM, ACSL3, ACSL1 ALDH1A1 589/4885TSHR 4878/4885TDP1 4707/4885
US-20230339847-A1 PREPARATION OF AROMATIC CARBOXYAMIDES BY A PALLADIUM-CATALYZED CARBONYLATION REACTION CBR3, CBR1, DDT ALDH1A1 1300/4885TSHR 4527/4885TDP1 2541/4885
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 ALDH1A1 1228/4885TSHR 4261/4885TDP1 4402/4885
US-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 ALDH1A1 3926/4885TSHR 3389/4885TDP1 4215/4885

“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.