SCHEMBL418370

SCHEMBL418370

O=C(O)CCCn1ccc2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
KMO O15229 1/20 0.47
PPARG P37231 1/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
OXER1 Q8TDS5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCL1 Q07820 1/20 0.42

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
SCHEMBL419751 0.88 KMO (0.57) P2RX7HTR2AHTR2CKMOPPARG
SCHEMBL27587769 0.84 ALOX5 (0.50) ALOX5EPHX2KMOCDK4CCND1
SCHEMBL416378 0.82 ALOX5 (0.49) ALOX5EPHX2HTR2AHTR2CKMO
SCHEMBL416786 0.82 KMO (0.65) ALOX5EPHX2HTR2AHTR2CKMO
SCHEMBL1576340 0.81 KMT2A (0.60) HTR2AHTR2CPPARGCDK4CCND1
SCHEMBL413159 0.79 FFAR4 (0.55) P2RX7ALOX5EPHX2KMOFFAR4
SCHEMBL10253582 0.79 KMO (0.68) P2RX7HTR2AHTR2CKMOPPARG
SCHEMBL28833477 0.78 HTR2A (0.53) P2RX7HTR2AHTR2CCDK4CCND1
SCHEMBL5638243 0.78 CDK4 (0.53) P2RX7HTR2AHTR2CPPARGCDK4
SCHEMBL29560163 0.78 CDK4 (0.68) KMOCDK4CCND1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 P2RX7 2354/4885ALOX5 3509/4885EPHX2 3548/4885

“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.