SCHEMBL416786

SCHEMBL416786

O=C(O)CCCn1ccc2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.65
OXER1 Q8TDS5 2/20 0.64
ACLY P53396 3/20 0.57
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
MCL1 Q07820 3/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL10593438 0.94 KMO (0.62) KMOOXER1ACLYALOX5EPHX2
SCHEMBL1576323 0.91 KMO (0.78) KMOOXER1ACLYHTR2AHTR2C
SCHEMBL27587769 0.84 ALOX5 (0.50) KMOOXER1ACLYALOX5EPHX2
SCHEMBL416378 0.82 ALOX5 (0.49) KMOOXER1ALOX5EPHX2MCL1
SCHEMBL418370 0.82 P2RX7 (0.50) KMOOXER1ALOX5EPHX2MCL1
SCHEMBL9702533 0.81 KMT2A (0.60) KMOOXER1ACLYHTR2AHTR2C
SCHEMBL13980991 0.81 KMO (0.58) KMOOXER1ACLYHTR2AHTR2C
SCHEMBL10203773 0.79 KMO (0.57) KMOOXER1ACLYHTR2AHTR2C
SCHEMBL413159 0.79 FFAR4 (0.55) KMOOXER1ALOX5EPHX2MCL1
SCHEMBL1967792 0.78 CDK4 (0.68) KMOCDK4CCND1

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 KMO 3225/4885OXER1 4248/4885ACLY 2318/4885

“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.