SCHEMBL4090826

SCHEMBL4090826

Oc1ccc(Oc2ccc(-c3ccno3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP19A1 P11511 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
NOTUM Q6P988 1/20 0.52
ESR2 Q92731 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 1/20 0.50
LTA4H P09960 5/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
EPHX2 P34913 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PARP10 Q53GL7 1/20 0.38
CDH1 P12830 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38

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
SCHEMBL1187704 0.89 NOTUM (0.63) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL4103711 0.82 CYP1A2 (0.57) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL9768763 0.78 NOTUM (0.77) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL2090455 0.76 CYP1A2 (0.62) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL2090452 0.76 CYP1A2 (0.57) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL2196668 0.73 ESR2 (0.82) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL9581090 0.73 ESR2 (0.82) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL8663280 0.73 ESR2 (0.82) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL21495883 0.73 ESR2 (0.82) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL14148732 0.73 ESR2 (0.82) ESR2MEN1KMT2AESR1LTA4H

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 CYP1A2 38/4885CYP19A1 18/4885CYP2C9 148/4885

“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.