SCHEMBL4096433

SCHEMBL4096433

CCc1cc(-c2ccc(-c3cc[nH]n3)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.53
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
AR P10275 1/20 0.39
BACE1 P56817 2/20 0.37
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CA12 O43570 1/20 0.35
ALPL P05186 1/20 0.35
CA9 Q16790 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B2 P37059 1/20 0.34

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
SCHEMBL13675152 0.94 HSD17B1 (0.47) HSD17B1ESR1ESR2ARBACE1
SCHEMBL4092658 0.81 HSD17B1 (0.45) HSD17B1CYP1A2MEN1GAAKMT2A
SCHEMBL13678958 0.80 HSD17B1 (0.75) HSD17B1ESR1ESR2ARBACE1
SCHEMBL3953461 0.78 HSD17B1 (0.71) HSD17B1ESR1ESR2ARBACE1
SCHEMBL4086117 0.77 HSD17B1 (0.50) HSD17B1ESR1ESR2ARBACE1
SCHEMBL13675229 0.75 MAPK1 (0.35) ESR1ESR2CA12ALPLCA9
SCHEMBL2720462 0.75 HSD17B1 (0.68) HSD17B1ESR1ESR2ARBACE1
SCHEMBL26134242 0.75 HSD17B1 (0.68) HSD17B1ESR1ESR2ARBACE1
SCHEMBL10176696 0.73 METAP2 (0.55) CA12ALPLCA9MEN1GAA
SCHEMBL1023129 0.73 HSD17B1 (0.66) HSD17B1ESR1ESR2ARBACE1

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 HSD17B1 4/4885ESR1 286/4885ESR2 133/4885

“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.