SCHEMBL7169376

SCHEMBL7169376

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 1.00
CYP1A2 P05177 10/20 1.00
CYP1B1 Q16678 10/20 1.00
CYP2D6 P10635 5/20 1.00
CYP3A4 P08684 5/20 1.00
KDM4E B2RXH2 3/20 0.70
MAPT P10636 2/20 0.70
ABCG2 Q9UNQ0 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RAB9A P51151 1/20 0.65
NR1H4 Q96RI1 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
THRB P10828 1/20 0.65
APP P05067 1/20 0.64
GSK3B P49841 1/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL17233466 1.00 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL17233289 0.90 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL17233411 0.87 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL7169374 0.85 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL17232220 0.84 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL10365559 0.84 ABCG2 (0.85) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL30384064 0.84 ABCG2 (0.85) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL3133060 0.84 ABCG2 (0.85) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL3133053 0.84 ABCG2 (0.85) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4
SCHEMBL12726631 0.82 HSP90AA1 (0.72) CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4

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-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.