SCHEMBL4547665

SCHEMBL4547665

[3H]c1ccc(CCC(C(=O)OCC=C)C(=O)OCC=C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CASP1 P29466 6/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAAH O00519 3/20 0.36
MGLL Q99685 1/20 0.36
BCL2L2 Q92843 1/20 0.35
MMP8 P22894 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL2674495 0.77 MMP12 (0.46) CYP3A4MMP13
SCHEMBL2675488 0.76 CYP4A11 (0.49) CYP3A4TSHRALDH1A1HSD17B10MGLL
SCHEMBL9770144 0.76 CYP3A4 (0.47) CYP3A4CASP1TSHRALDH1A1HSD17B10
SCHEMBL10348290 0.75 CYP3A4 (0.46) CYP3A4CASP1TSHRALDH1A1HSD17B10
SCHEMBL8697093 0.75 CYP3A4 (0.46) CYP3A4CASP1TSHRALDH1A1HSD17B10
SCHEMBL4711848 0.75 CYP3A4 (0.46) CYP3A4CASP1TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL14332245 0.73 CYP3A4 (0.45) CYP3A4CASP1TSHRALDH1A1HSD17B10
SCHEMBL14331820 0.73 CYP3A4 (0.51) CYP3A4CASP1TSHRALDH1A1HSD17B10
SCHEMBL29558885 0.72 FAAH (0.50) CYP3A4CASP1TSHRFAAHMGLL
SCHEMBL8517163 0.72 CTSS (0.35) CYP3A4TSHRALDH1A1HSD17B10SMN1; SMN2

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-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 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-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 CYP3A4 178/4885CASP1 2230/4885TSHR 1729/4885

“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.