SCHEMBL3762769

SCHEMBL3762769

O=c1oc2cc(O)ccc2c2c1CCCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
ALDH1A1 P00352 4/20 0.97
HPGD P15428 4/20 0.97
HSD17B10 Q99714 4/20 0.97
KDM4E B2RXH2 3/20 0.97
TSHR P16473 2/20 0.97
GLA P06280 1/20 0.97
GAA P10253 1/20 0.97
CASP1 P29466 1/20 0.97
CASP7 P55210 1/20 0.97
MAOA P21397 1/20 0.91
MAOB P27338 2/20 0.62
STS P08842 11/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CYP19A1 P11511 1/20 0.57
CA4 P22748 1/20 0.57

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
SCHEMBL3625077 1.00 CYP1A2 (1.00) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30465069 0.98 KDM4E (1.00) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3768560 0.98 KDM4E (1.00) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3757463 0.95 MAOA (1.00) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10791718 0.87 CYP1A2 (0.77) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10793789 0.85 ALDH1A1 (0.77) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10795665 0.82 KDM4E (0.70) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10790036 0.82 KDM4E (0.70) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10789263 0.82 MAOA (0.77) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9336449 0.81 KDM4E (0.71) CYP1A2ALDH1A1HPGDHSD17B10KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846965-B2 a non-steroidal sulphamate compound such as 6-Oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-O-sulphamate, suitable for use as an inhibitor of estrone sulphatase, for the treatment of endocrine-dependent cancers and tumors, such as the breast and endometrium STERIX LIMITED (GB) 2010-12-07 US disclosed
US-20070173531-A1 Compound REED MICHAEL J 2007-07-26 US disclosed
US-7202272-B2 Compound STERIX, LTD. (GB) 2007-04-10 US disclosed
US-6921776-B1 Compound STERIX LIMITED (GB) 2005-07-26 US disclosed
US-20050154050-A1 Compound REED MICHAEL J (GB) 2005-07-14 US 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 (2 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-20070173531-A1 Compound HSD17B11, NR5A1, CYP17A1 CYP1A2 91/4885ALDH1A1 611/4885HPGD 260/4885
US-20050154050-A1 Compound HSD17B11, NR5A1, CYP17A1 CYP1A2 91/4885ALDH1A1 611/4885HPGD 260/4885

“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.