SCHEMBL4551086

SCHEMBL4551086

COC(=O)c1ccc(CCC(/C=C/c2ccccc2O)Cc2cc(F)c(O)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL4547671 0.93 CCR6 (0.39) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL3018269 0.90 CYP4A11 (0.42) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL3018264 0.90 CYP4A11 (0.42) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL2675212 0.88 CCR6 (0.35) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL2675208 0.88 CCR6 (0.35) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL2161914 0.87 CYP4A11 (0.45) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL2161911 0.87 CYP4A11 (0.45) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL7008694 0.85 LNPEP (0.39) ERN1CCR6HKDC1ALDH1A1HPGD
SCHEMBL2675613 0.83 KMT2A (0.43) ALDH1A1HPGDTP53CYP1A2CYP3A4
SCHEMBL2676153 0.83 KMT2A (0.43) ALDH1A1HPGDTP53CYP1A2CYP3A4

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 ERN1 3810/4885CCR6 3416/4885HKDC1 2085/4885

“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.