SCHEMBL4533984

SCHEMBL4533984

OCC#Cc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
KCNA3 P22001 1/20 0.57
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
LTA4H P09960 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
FFAR1 O14842 1/20 0.46
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45

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
SCHEMBL6298845 0.85 LTA4H (0.52) HRH3LTA4HFFAR1PPARGPPARD
SCHEMBL15010951 0.84 HRH3 (0.59) HRH3LTA4H
SCHEMBL4516759 0.82 KCNA3 (0.57) KCNA3ALDH1A1RECQLLTA4HHDAC1
SCHEMBL26668449 0.81 MMP2 (0.48) HRH3ALDH1A1RECQLLTA4HFFAR1
SCHEMBL30108320 0.81 KCNA3 (0.65) KCNA3ALDH1A1RECQLLTA4HHDAC1
SCHEMBL30108307 0.79 KCNA3 (0.62) KCNA3ALDH1A1RECQLLTA4HHDAC1
SCHEMBL28687083 0.79 HRH3 (0.54) HRH3ALDH1A1MMP2MMP12
SCHEMBL487492 0.78 CYP1A2 (0.58) HRH3ALDH1A1FFAR1MMP2MMP12
SCHEMBL9442224 0.77 PPARG (0.56) HRH3KCNA3ALDH1A1RECQLLTA4H
SCHEMBL6446069 0.76 MMP2 (0.55) HRH3ALDH1A1FFAR1MMP2MMP12

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 3 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-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 HRH3 1425/4885KCNA3 3486/4885ALDH1A1 60/4885

“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.