SCHEMBL4547658

SCHEMBL4547658

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP4Z1 Q86W10 2/20 0.36
TNF P01375 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
POLB P06746 1/20 0.35
CYP4F11 Q9HBI6 1/20 0.34
CYP4F12 Q9HCS2 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
SCHEMBL2675514 0.86 CYP1A2 (0.32) CYP1A2KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL4550957 0.82 CYP4Z1 (0.37) CYP1A2KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL4547668 0.81 ALOX5 (0.40) CYP1A2KMT2AALDH1A1TNFCYP4F2
SCHEMBL4547657 0.81 CYP1A2 (0.40) CYP1A2KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL3594773 0.79 SMN1; SMN2 (0.44) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL13629737 0.78 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL6138542 0.77 CYP4Z1 (0.41) KMT2AALDH1A1TDP1CYP4Z1CYP4F2
SCHEMBL2294774 0.77 CYP4Z1 (0.39) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL4550996 0.74 ALOX5 (0.39) CYP1A2KMT2AALDH1A1CYP4Z1TNF
SCHEMBL24207172 0.70 SMN1; SMN2 (0.42) CYP1A2ALDH1A1CYP4Z1CYP4F2CYP4A11

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 316/4885KMT2A 1549/4885ALDH1A1 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.