SCHEMBL4525746

SCHEMBL4525746

OC(c1ccc(OCC2CC2)cc1)C(O)c1ccc(OCC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.54
PARP10 Q53GL7 4/20 0.54
PARP2 Q9UGN5 2/20 0.54
ACACB O00763 3/20 0.46
GPR88 Q9GZN0 1/20 0.46
FFAR1 O14842 1/20 0.46
UGCG Q16739 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL30932889 0.85 PARP15 (0.51) PARP15PARP10PARP2ACACBGPR88
SCHEMBL29024848 0.83 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL21910441 0.82 PARP15 (0.49) PARP15PARP10PARP2ACACBGPR88
SCHEMBL14033727 0.82 GPR88 (0.54) PARP15PARP10PARP2GPR88FFAR1
SCHEMBL10014749 0.81 PARP15 (0.50) PARP15PARP10PARP2ACACBGPR88
SCHEMBL7813334 0.79 PARP15 (0.43) PARP15PARP10PARP2ACACBUGCG
SCHEMBL19876587 0.78 PARP15 (0.51) PARP15PARP10PARP2ACACBGPR88
SCHEMBL17246825 0.78 PARP15 (0.51) PARP15PARP10PARP2ACACBGPR88
SCHEMBL7601081 0.78 PARP15 (0.51) PARP15PARP10PARP2ACACBGPR88
SCHEMBL16902834 0.78 PARP15 (0.59) PARP15PARP10PARP2TDP1SIGMAR1

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 PARP15 3998/4885PARP10 4535/4885PARP2 3805/4885

“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.