SCHEMBL2882972

SCHEMBL2882972

CCCCCCCCCC(C)(C)SC=C(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
GGPS1 O95749 6/20 0.35
FDPS P14324 9/20 0.34
SMPD1 P17405 4/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL2890741 0.71 TSHR (0.37)
SCHEMBL8765527 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL11804892 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL29225935 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL1114789 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL8372803 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL9493244 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL728106 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL8477859 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1
SCHEMBL8376035 0.71 TSHR (0.44) CES2GGPS1FDPSSMPD1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846367-B1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE EVONIK DEGUSSA GMBH (DE) 2016-03-09 EP claimed
EP-1846367-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE Degussa GmbH (DE) 2007-10-24 EP claimed
WO-2006058807-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DEGUSSA GMBH (DE) 2006-06-08 WO claimed
US-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF (CHINA) COMPANY LIMITED (CN) 2024-07-04 US disclosed
EP-4330226-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF SE (DE) 2024-03-06 EP disclosed
WO-2024012851-A1 SUSTAINABLE ANTIOXIDANT COMPOSITION, USE THEREOF AND POLYMER COMPOSITION COMPRISING THE SAME BASF SE (DE) 2024-01-18 WO disclosed
EP-2132244-B1 METHOD FOR PRODUCING COLORLESS ISOCYANURATES OF DIISOCYANATES BASF SE (DE) 2018-08-22 EP disclosed
EP-1846367-B1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE EVONIK DEGUSSA GMBH (DE) 2016-03-09 EP disclosed
US-8373004-B2 Method for producing colorless isocyanurates of diisocyanates BASF SE (DE) 2013-02-12 US disclosed
US-20100168329-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DEGUSSA GMBH (DE) 2010-07-01 US disclosed
US-20100022707-A1 METHOD FOR PRODUCING COLORLESS ISOCYANURATES OF DIISOCYANATES BASF SE (DE) 2010-01-28 US disclosed
WO-2008116893-A1 CURING COMPOSITIONS BASF SE (DE) 2008-10-02 WO disclosed
WO-2008116897-A1 METHOD FOR PRODUCING COLORLESS ISOCYANURATES OF DIISOCYANATES BASF SE (DE) 2008-10-02 WO disclosed
WO-2008068197-A1 POLYISOCYANATE PREPARATIONS BASF SE (DE) 2008-06-12 WO disclosed
EP-1846367-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE Degussa GmbH (DE) 2007-10-24 EP disclosed
WO-2006058807-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DEGUSSA GMBH (DE) 2006-06-08 WO disclosed
US-5728317-A POLYISOCYANURATES FROM POLYISOCYANATES WITH STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
EP-0643042-B1 Storage-stable polyisocyanate mixtures prepared by phosgen-free processes, a process for their preparation and their use BASF AG (DE) 1996-07-17 EP disclosed
EP-0643042-A1 Storage-stable polyisocyanate mixtures prepared by phosgen-free processes, a process for their preparation and their use BASF Aktiengesellschaft (DE) 1995-03-15 EP disclosed
EP-0513619-A2 Compositions suited as stabilizersystems for polymers BAYER AG (DE) 1992-11-19 EP 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 (3 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-20100168329-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DDT, AADAC, SCD CES2 192/4885GGPS1 142/4885FDPS 195/4885
US-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION TST, DDT, PAH CES2 1871/4885GGPS1 937/4885FDPS 208/4885
US-20100022707-A1 METHOD FOR PRODUCING COLORLESS ISOCYANURATES OF DIISOCYANATES IDH2, IDH3A, IDH1 CES2 251/4885GGPS1 604/4885FDPS 39/4885

“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.