SCHEMBL7169374

SCHEMBL7169374

COc1ccc(C(=O)/C=C/c2cccnc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 1.00
CYP1A2 P05177 11/20 1.00
CYP1B1 Q16678 11/20 1.00
CYP3A4 P08684 5/20 0.73
CYP2D6 P10635 4/20 0.73
TNFRSF1A P19438 2/20 0.71
ABCB1 P08183 1/20 0.71
ABCG2 Q9UNQ0 3/20 0.68
NTSR1 P30989 1/20 0.63

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
SCHEMBL8808892 0.87 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL8808900 0.87 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL17233466 0.85 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL7169376 0.85 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL18551884 0.84 ABCG2 (0.81) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
3',4'-Dimethoxychalcone SCHEMBL12485314 0.84 TNFRSF1A (1.00) CYP1A1CYP1A2CYP1B1TNFRSF1AABCB1
3',4'-Dimethoxychalcone SCHEMBL12485318 0.84 TNFRSF1A (1.00) CYP1A1CYP1A2CYP1B1TNFRSF1AABCB1
SCHEMBL17233306 0.84 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9475860 0.83 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9475867 0.83 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015166043-A1 COMPOUNDS DE MONTFORT UNIVERSITY (GB) 2015-11-05 WO disclosed
US-20030235889-A1 Materials and methods involving conditional retention domains ARIAD GENE THERAPEUTICS, INC. 2003-12-25 US disclosed
US-6566073-B1 Induction of preferential protein in cells; obtain genetically engineered cell, incubate with ligand and monitor expression of preferential protein ARIAD GENE THERAPEUTICS, INC. 2003-05-20 US disclosed
EP-1123405-A1 MATERIALS AND METHODS INVOLVING CONDITIONAL AGGREGATION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2001-08-16 EP disclosed
WO-2000023600-A1 MATERIALS AND METHODS INVOLVING CONDITIONAL AGGREGATION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-04-27 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-20030235889-A1 Materials and methods involving conditional retention domains KDELR1, KDELR2, CD2BP2 CYP1A1 4863/4885CYP1A2 4878/4885CYP1B1 4862/4885

“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.