SCHEMBL4101247

SCHEMBL4101247

CC(=O)c1ccc(-c2ccc(O)cc2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 1.00
ESR2 Q92731 7/20 0.59
ESR1 P03372 6/20 0.56
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.44
FGFR1 P11362 1/20 0.44
WEE1 P30291 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
HSD17B2 P37059 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4091247 0.89 HSD17B1 (0.81) HSD17B1ESR2ESR1MAPTSMN1; SMN2
SCHEMBL7166892 0.86 HSD17B1 (0.75) HSD17B1ESR2ESR1SMN1; SMN2HSD17B10
SCHEMBL439874 0.82 ESR2 (0.76) HSD17B1ESR2ESR1HSD17B10FGFR1
SCHEMBL29738442 0.82 ESR2 (0.76) HSD17B1ESR2ESR1HSD17B10FGFR1
SCHEMBL2561933 0.82 HSD17B1 (0.70) HSD17B1ESR1MAPTSMN1; SMN2HSD17B10
SCHEMBL497983 0.81 HSD17B1 (0.69) HSD17B1ESR2ESR1MAPTHSD17B10
SCHEMBL11705750 0.81 HSD17B1 (0.68) HSD17B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13864591 0.81 HSD17B1 (0.68) HSD17B1ESR2ESR1MAPTSMN1; SMN2
SCHEMBL2718119 0.81 ESR2 (0.73) HSD17B1ESR2ESR1HSD17B10FGFR1
SCHEMBL11742725 0.80 HSD17B1 (0.67) HSD17B1ESR2ESR1MAPTSMN1; SMN2

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 4/4885ESR2 133/4885ESR1 286/4885

“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.