SCHEMBL4547657

SCHEMBL4547657

CCOC(=O)CCCCC(CO)Cc1cc(F)c(C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
TNF P01375 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
TBXAS1 P24557 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 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
SCHEMBL2675358 0.85 CYP4F2 (0.33) CYP1A2CYP4F2CYP4A11KMT2ACYP3A4
SCHEMBL4547668 0.82 ALOX5 (0.40) CYP1A2CYP4F2CYP4A11KMT2ATNF
SCHEMBL4547658 0.81 CYP1A2 (0.39) CYP1A2CYP4F2CYP4A11KMT2ACYP3A4
SCHEMBL9442258 0.79 L3MBTL1 (0.44) CYP1A2CYP4F2CYP4A11KMT2ACYP3A4
SCHEMBL2291691 0.77 CYP4F2 (0.41) CYP4F2CYP4A11TDP1TBXAS1CYP4Z1
SCHEMBL4550996 0.75 ALOX5 (0.39) CYP1A2CYP4F2CYP4A11KMT2ATNF
SCHEMBL17526973 0.74 CYP3A4 (0.51) CYP1A2CYP4F2CYP4A11KMT2ACYP3A4
SCHEMBL17526969 0.74 CYP3A4 (0.51) CYP1A2CYP4F2CYP4A11KMT2ACYP3A4
SCHEMBL4550957 0.73 CYP4Z1 (0.37) CYP1A2CYP4F2CYP4A11KMT2ACYP3A4
SCHEMBL28337277 0.73 LMNA (0.60) KMT2ACYP3A4TSHRTDP1ATM

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 CYP1A2 316/4885CYP4F2 92/4885CYP4A11 165/4885

“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.