SCHEMBL4096010

SCHEMBL4096010

CCc1cc(-c2ccc(-c3ccn(C)n3)cc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
KEAP1 Q14145 1/20 0.45
HSD17B1 P14061 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SCN4A P35499 1/20 0.42
BRD9 Q9H8M2 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
APLNR P35414 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL13774779 0.84 HSD17B1 (0.39) CYP19A1HSD17B1KMT2APTGS1PTGS2
SCHEMBL4085703 0.81 HSD17B1 (0.39) HSD17B1KMT2APTGS1PTGS2PDE4A
SCHEMBL4096858 0.80 HDAC1 (0.40) HSD17B1KMT2APTGS1PTGS2KDM4E
SCHEMBL12325012 0.79 HSD17B1 (0.59) HSD17B1PTGS1PTGS2KDM4EHPGD
SCHEMBL4091149 0.78 ALDH1A1 (0.44) HSD17B1KMT2APTGS1PTGS2PDE4A
SCHEMBL4092658 0.75 HSD17B1 (0.45) HSD17B1KMT2APTGS1PTGS2PDE4A
SCHEMBL16910765 0.74 KDM4E (0.50) CYP19A1KEAP1KMT2APTGS1PTGS2
SCHEMBL4096493 0.73 BRD4 (0.49) CYP19A1HSD17B1PTGS1PTGS2BRD9
SCHEMBL16627912 0.73 KMO (0.48) CYP19A1KEAP1KMT2APTGS1PTGS2
SCHEMBL16911735 0.73 MAPT (0.52) CYP19A1KEAP1KMT2APTGS2SCN4A

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 CYP19A1 18/4885KEAP1 1182/4885HSD17B1 4/4885

“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.