SCHEMBL4096493

SCHEMBL4096493

CCc1cc(-c2ccc(-c3ccnn3C)cc2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
BRD3 Q15059 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B1 P14061 1/20 0.43
ICMT O60725 1/20 0.42
GRM7 Q14831 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
PORCN Q9H237 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
P2RX7 Q99572 2/20 0.39

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
SCHEMBL4085275 0.80 HSD17B1 (0.37) BRD4BRD3HSD17B1ICMTPTGS1
SCHEMBL12325012 0.78 HSD17B1 (0.59) CYP3A4HSD17B1PTGS1PTGS2
SCHEMBL28058890 0.77 GRM7 (0.56) BRD4BRD3CYP1A2CYP3A4CYP2D6
SCHEMBL16911970 0.75 BRD4 (0.51) BRD4BRD3CYP1A2CYP3A4CYP2D6
SCHEMBL13675221 0.74 P2RX7 (0.47) BRD4BRD3CYP1A2CYP3A4CYP2D6
SCHEMBL16911318 0.74 S1PR1 (0.54) BRD4BRD3CYP1A2CYP3A4CYP2D6
SCHEMBL16911718 0.74 BRD4 (0.50) BRD4BRD3CYP1A2CYP3A4CYP2D6
SCHEMBL27975555 0.74 BRD4 (0.50) BRD4BRD3CYP1A2CYP3A4CYP2D6
SCHEMBL4096010 0.73 CYP19A1 (0.48) CYP19A1HSD17B1PTGS1PTGS2BRD9
SCHEMBL4098150 0.73 CYP1A2 (0.48) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 BRD4 3565/4885BRD3 3925/4885CYP1A2 38/4885

“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.