SCHEMBL2631358

SCHEMBL2631358

COCOc1ccc(Br)cc1CC(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CCR5 P51681 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RAB9A P51151 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL5569933 0.80 PTGDR2 (0.45) ALDH1A1KDM4ETDP1CCR5PTGDR2
SCHEMBL8712221 0.79 PTGDR2 (0.59) ALDH1A1KDM4ETDP1CCR5PTGDR2
SCHEMBL8712410 0.79 CCR5 (0.42) ALDH1A1KDM4ETDP1CCR5PTGDR2
SCHEMBL30152364 0.79 PTGDR2 (0.59) ALDH1A1KDM4ETDP1CCR5PTGDR2
SCHEMBL4185116 0.78 SMN1; SMN2 (0.42) ALDH1A1KDM4ECCR5PTGDR2RAB9A
SCHEMBL31750611 0.76 CCR5 (0.61) ALDH1A1CCR5RAB9ALMNAHTT
SCHEMBL28009643 0.76 TSHR (0.41) ALDH1A1KDM4ETDP1PTGDR2CYP3A4
SCHEMBL4014116 0.75 CYP3A4 (0.42) ALDH1A1KDM4ETDP1CCR5PTGDR2
SCHEMBL8709749 0.75 CSNK2A1 (0.41) ALDH1A1KDM4ETDP1CCR5PTGDR2
SCHEMBL578735 0.75 L3MBTL1 (0.43) KDM4ECYP3A4CYP2D6CYP2C19CYP2C9

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-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 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-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 ALDH1A1 597/4885KDM4E 2295/4885TDP1 2980/4885

“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.