SCHEMBL7167724

SCHEMBL7167724

COc1ccc(CC[C@@H](O)c2cccnc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 3/20 0.66
STAT3 P40763 2/20 0.55
MAPK1 P28482 1/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.47
ADRB3 P13945 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL12283339 0.79 STAT3 (0.57) STAT3ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL29803055 0.79 STAT3 (0.57) STAT3ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1098076 0.79 STAT3 (0.57) STAT3ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL22510018 0.79 STAT3 (0.57) STAT3ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL21643363 0.79 STAT3 (0.57) STAT3ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL25287579 0.77 STAT3 (0.61) STAT3ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL25287578 0.77 STAT3 (0.61) STAT3ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL10695936 0.77 PTAFR (0.52) CYP51A1STAT3MAPK1ALDH1A1NPSR1
SCHEMBL10881714 0.76 CYP51A1 (0.51) CYP51A1MAPK1ALDH1A1KDM4ECYP3A4
SCHEMBL10705171 0.75 SMN1; SMN2 (0.56) CYP51A1MAPK1ALDH1A1KDM4ECYP3A4

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 6 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-1144655-A2 REGULATED EXPRESSION USING CONDITIONAL ER RETENTION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2001-10-17 EP disclosed
EP-1123405-A1 MATERIALS AND METHODS INVOLVING CONDITIONAL AGGREGATION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2001-08-16 EP disclosed
WO-2000023602-A2 REGULATED EXPRESSION USING CONDITIONAL ER RETENTION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-04-27 WO 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 CYP51A1 4617/4885STAT3 3785/4885MAPK1 4729/4885

“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.