SCHEMBL4531702

SCHEMBL4531702

COC(=O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCC(C(=O)OC)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.66
POLB P06746 2/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PPARG P37231 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
DRD4 P21917 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL13918341 0.96 CYSLTR2 (0.70) CYSLTR2POLBRAB9AMAPTNPC1
SCHEMBL13918511 0.94 CYSLTR2 (0.62) CYSLTR2POLBRAB9AMAPTNPC1
SCHEMBL4521894 0.91 CYSLTR2 (0.78) CYSLTR2POLBRAB9AMAPTNPC1
SCHEMBL13918382 0.90 CYSLTR2 (0.66) CYSLTR2POLBRAB9AMAPTNPC1
SCHEMBL13932995 0.89 CYSLTR2 (0.75) CYSLTR2POLBRAB9AMAPTNPC1
SCHEMBL4524350 0.89 CYSLTR2 (0.74) CYSLTR2POLBRAB9AMAPTNPC1
SCHEMBL4509893 0.87 CYSLTR2 (0.82) CYSLTR2POLBNPC1ALDH1A1MEN1
SCHEMBL13918513 0.87 CYSLTR2 (0.82) CYSLTR2POLBNPC1ALDH1A1MEN1
SCHEMBL4521068 0.85 CYSLTR2 (0.52) CYSLTR2RAB9AMAPTALDH1A1PPARG
SCHEMBL4521070 0.85 CYSLTR2 (0.52) CYSLTR2RAB9AMAPTALDH1A1PPARG

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 2 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-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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 (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 CYSLTR2 1426/4885POLB 2956/4885RAB9A 3779/4885

“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.