SCHEMBL4515768

SCHEMBL4515768

CC(C)[Si](Oc1ccc(CCCO)cc1)(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
CYP4A11 Q02928 3/20 0.44
CALM1 P0DP23 1/20 0.40
CYP4F2 P78329 2/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL6179468 0.89 CYP4F2 (0.45) PPARALTA4HEPHX2CYP4A11CALM1
SCHEMBL4508541 0.83 CALM1 (0.36) CALM1SMN1; SMN2ALDH1A1KMT2AALOX5
SCHEMBL3105485 0.82 LTA4H (0.44) PPARALTA4H
SCHEMBL1692404 0.81 ACACB (0.40) PPARALTA4HEPHX2
SCHEMBL6478757 0.79 TDP1 (0.39) CALM1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5355098 0.77 POLB (0.53) PPARALTA4HEPHX2CYP4A11CALM1
SCHEMBL3085551 0.76 TRPA1 (0.36) ALDH1A1
SCHEMBL11683841 0.75 POLB (0.51) PPARALTA4HEPHX2CYP4A11CALM1
SCHEMBL10438271 0.75 HTT (0.34) SMN1; SMN2ALDH1A1HTT
SCHEMBL2675281 0.75 PPARA (0.53) PPARALTA4HEPHX2CYP4A11CALM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 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 (1 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A PPARA 42/4885LTA4H 281/4885EPHX2 214/4885

“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.