SCHEMBL517944

SCHEMBL517944

CC(C)(C)c1cc(C(CC(=O)OCCCCCCO)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.44
CACNA1A O00555 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNB1 Q02641 1/20 0.38
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
GSR P00390 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 2/20 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
SCHEMBL3683439 0.85 VCAM1 (0.39) VCAM1CACNA1ACACNA2D1CACNB1GLRA3
SCHEMBL28961380 0.83 CACNA1A (0.45) VCAM1CACNA1ACACNA2D1CACNB1KDM4E
SCHEMBL2474153 0.82 CYP1A2 (0.40) VCAM1CACNA1ACACNA2D1CACNB1GLRA3
SCHEMBL7689933 0.81 VCAM1 (0.41) VCAM1CACNA1ACACNA2D1CACNB1GLRA3
SCHEMBL27390100 0.79 ESR1 (0.43) SMN1; SMN2
SCHEMBL28219118 0.79 ESR1 (0.43) SMN1; SMN2
SCHEMBL9705163 0.79 ESR1 (0.43)
SCHEMBL28860107 0.79 ESR1 (0.43) SMN1; SMN2
SCHEMBL2354392 0.78 CYP1A2 (0.36) VCAM1CACNA1ACACNA2D1CACNB1GLRA3
SCHEMBL11706491 0.78 VCAM1 (0.44) VCAM1GSRLMNARECQLKDM4E

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 62 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
US-20100168329-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DEGUSSA GMBH (DE) 2010-07-01 US claimed
US-20260103594-A1 THERMOPLASTIC MOULDING COMPOSITIONS HAVING AN IMPROVED COLOUR STABILITY-3 BASF SE (DE) 2026-04-16 US disclosed
US-20260103596-A1 THERMOPLASTIC MOULDING COMPOSITIONS HAVING AN IMPROVED COLOUR STABILITY-1 BASF SE (DE) 2026-04-16 US disclosed
EP-4536741-B1 RECYCLING METHOD FOR PRODUCING A POLYAMIDE COMPOUND BASF SE (DE) 2026-01-21 EP disclosed
US-20250320346-A1 RECYCLING METHOD FOR PRODUCING A POLYAMIDE COMPOUND BASF SE (DE) 2025-10-16 US disclosed
WO-2025049564-A1 POLYAMIDE MOLDING COMPOSITIONS WITH IMPROVED HEAT-AGING RESISTANCE BASF SE (DE) 2025-03-06 WO disclosed
EP-4255964-B1 AQUEOUS LACTAM SOLUTION OF LIGNIN BASF SE (DE) 2024-11-13 EP disclosed
US-20240279464-A1 THERMOPLASTIC MOULDING COMPOSITION RETAINING HIGH GLOSS BASF SE (DE) 2024-08-22 US disclosed
US-20240209184-A1 ALIPHATIC COPOLYAMIDE COMPOSITION BASF SE (DE) 2024-06-27 US disclosed
EP-4121483-B1 PLASTICIZED POLYAMIDE MOLDING COMPOSITIONS BASF SE (DE) 2024-05-08 EP disclosed
US-20120029122-A1 FLAME RETARDANT MOLDING COMPOSITIONS BASF SE (DE) 2012-02-02 US disclosed
US-20110294910-A1 EXPANDABLE PELLETIZED POLYAMIDE MATERIAL BASF SE (DE) 2011-12-01 US disclosed
US-20110224347-A1 POLYAMIDES THAT RESIST HEAT-AGING BASF SE (DE) 2011-09-15 US disclosed
US-7989537-B2 Reduced formaldehyde emissions; safe for food and drink containers, toys, packaging, construction materials BASF AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-20080085968-A1 Moulding Compound Comprising Polyoxymethylene And Zeolite BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-20030175492-A1 Antistatic polyoxymethylene molding compounds BASF AKTIENGESELLSCHAFT (DE) 2003-09-18 US disclosed
US-20010034415-A1 Impact-modified thermoplastic polymer mixtures based on SO2 copolymers having an aliphatic main chain BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 US disclosed
US-5808138-A BUBBLING OR ADDING SOLID CARBON DIOXIDE BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5728317-A POLYISOCYANURATES FROM POLYISOCYANATES WITH STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1998-03-17 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 (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-20260103594-A1 THERMOPLASTIC MOULDING COMPOSITIONS HAVING AN IMPROVED COLOUR STABILITY-3 SMC3, ASIC3, PUF60 VCAM1 1911/4885CACNA1A 37/4885CACNA2D1 646/4885
US-20100168329-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DDT, AADAC, SCD VCAM1 3917/4885CACNA1A 4393/4885CACNA2D1 4298/4885
US-20260103596-A1 THERMOPLASTIC MOULDING COMPOSITIONS HAVING AN IMPROVED COLOUR STABILITY-1 PUF60, PHPT1, P4HA1 VCAM1 3353/4885CACNA1A 117/4885CACNA2D1 346/4885

“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.