SCHEMBL417575

SCHEMBL417575

C=CCc1cc(CNC)c(O)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 2/20 0.51
PTGS1 P23219 2/20 0.51
ALOX5 P09917 2/20 0.51
AR P10275 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
GABRA1 P14867 8/20 0.48
GABRB2 P47870 8/20 0.48
CCR3 P51677 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 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
SCHEMBL31255953 0.88 TNKS (0.63) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL13899835 0.88 TNKS (0.63) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL28563032 0.87 TNKS (0.56) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL6554990 0.86 TNKS (0.65) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL1005864 0.83 TNKS (0.61) TNKSTNKS2ALDH1A1CYP3A4PTGS1
Methoxyeugenol SCHEMBL293977 0.82 TNKS (0.73) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL31510191 0.81 TNKS2 (0.58) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL29554374 0.79 TNKS (0.61) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL18338811 0.79 TNKS (0.84) TNKSTNKS2ALDH1A1CYP3A4PTGS1
SCHEMBL30106410 0.79 TNKS (0.84) TNKSTNKS2ALDH1A1CYP3A4PTGS1

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 4 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
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 TNKS 666/4885TNKS2 1385/4885ALDH1A1 455/4885

“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.