SCHEMBL4520940

SCHEMBL4520940

OCCOc1ccc(CCCCCOc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
RECQL P46063 1/20 0.66
FFAR1 O14842 2/20 0.62
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
S1PR1 P21453 3/20 0.56
S1PR3 Q99500 1/20 0.56
S1PR5 Q9H228 1/20 0.56
KCNA3 P22001 1/20 0.55
PLA2G4B P0C869 1/20 0.55

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
SCHEMBL4519292 0.91 LTA4H (0.65) ALDH1A1RECQLFFAR1MEN1USP2
SCHEMBL4659369 0.90 LTA4H (0.73) ALDH1A1FFAR1MEN1USP2LMNA
SCHEMBL8500544 0.90 FFAR1 (0.67) ALDH1A1FFAR1MEN1USP2LMNA
SCHEMBL5741390 0.89 LTA4H (0.67) ALDH1A1RECQLFFAR1MEN1USP2
SCHEMBL4517044 0.89 LTA4H (0.72) ALDH1A1RECQLFFAR1LTA4HEPHX2
SCHEMBL9442338 0.88 FFAR1 (0.59) ALDH1A1RECQLFFAR1MEN1USP2
SCHEMBL4165319 0.88 FFAR1 (0.69) ALDH1A1FFAR1MEN1USP2LMNA
SCHEMBL8767634 0.87 KCNA3 (0.61) ALDH1A1RECQLFFAR1LTA4HEPHX2
SCHEMBL13932991 0.86 LTA4H (0.72) ALDH1A1RECQLFFAR1MEN1USP2
SCHEMBL8408714 0.85 ALDH1A1 (0.69) ALDH1A1RECQLFFAR1LTA4HEPHX2

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 8 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
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
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 ALDH1A1 60/4885RECQL 2021/4885FFAR1 832/4885

“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.