SCHEMBL4547670

SCHEMBL4547670

[3H]c1ccc(CCC(C=O)Cc2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
ACE P12821 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4547673 0.80 MMP12 (0.37)
SCHEMBL4547663 0.78 ANPEP (0.44) POLB
SCHEMBL4547662 0.77 POLB (0.31) POLB
SCHEMBL13629737 0.77 TSHR (0.32) SMN1; SMN2
SCHEMBL4547666 0.77 CYP4A11 (0.43) ALDH1A1
SCHEMBL12249323 0.71 ACE (0.51) ACEALDH1A1SMN1; SMN2
SCHEMBL7266830 0.71 ACE (0.51) ACEALDH1A1SMN1; SMN2
SCHEMBL10327471 0.69 CYP2A6 (0.41) ACEALDH1A1
SCHEMBL4547658 0.67 CYP1A2 (0.39) POLBALDH1A1SMN1; SMN2
SCHEMBL7266310 0.66 ACE (0.47) POLBACEALDH1A1SMN1; 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 POLB 1590/4885ACE 213/4885ALDH1A1 168/4885

“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.