SCHEMBL4547666

SCHEMBL4547666

COC(=O)c1ccc(CCC(C=O)Cc2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.43
CYP4F2 P78329 1/20 0.42
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
DPP4 P27487 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
RAB9A P51151 2/20 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
SCHEMBL3016468 0.86 CYP4A11 (0.53) CYP4A11CYP4F2CCR6HKDC1ALDH1A1
SCHEMBL2676682 0.84 CYP4A11 (0.38) CYP4A11CYP4F2CCR6HKDC1DPP4
SCHEMBL4547671 0.84 CCR6 (0.39) CYP4A11CYP4F2CCR6HKDC1DPP4
SCHEMBL2160715 0.82 CYP4A11 (0.57) CYP4A11CYP4F2CCR6HKDC1ALDH1A1
SCHEMBL8236165 0.79 CYP4A11 (0.45) CYP4A11CYP4F2CCR6HKDC1ALDH1A1
SCHEMBL2291504 0.78 CYP4A11 (0.44) CYP4A11CYP4F2ALDH1A1TP53CYP1A2
SCHEMBL2289012 0.78 CYP4A11 (0.44) CYP4A11CYP4F2ALDH1A1TP53CYP1A2
SCHEMBL4547673 0.77 MMP12 (0.37) HSD17B10LOXL2IDH1
SCHEMBL4551086 0.76 ERN1 (0.40) CYP4A11CYP4F2CCR6HKDC1DPP4
SCHEMBL3596235 0.75 LOXL2 (0.47) CYP4A11CYP4F2CCR6HKDC1ALDH1A1

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 CYP4A11 165/4885CYP4F2 92/4885CCR6 3416/4885

“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.