SCHEMBL3757463

SCHEMBL3757463

O=c1oc2cc(O)ccc2c2c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 1.00
ALDH1A1 P00352 3/20 0.94
KDM4E B2RXH2 2/20 0.94
HPGD P15428 2/20 0.94
TSHR P16473 2/20 0.94
HSD17B10 Q99714 2/20 0.94
GLA P06280 1/20 0.94
GAA P10253 1/20 0.94
CASP1 P29466 1/20 0.94
CASP7 P55210 1/20 0.94
CYP1A2 P05177 1/20 0.91
MAOB P27338 5/20 0.63
STS P08842 6/20 0.58
PDE2A O00408 1/20 0.57
MAPT P10636 1/20 0.57
HSD17B3 P37058 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PKLR P30613 1/20 0.54

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
SCHEMBL30465069 0.97 KDM4E (1.00) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL3768560 0.97 KDM4E (1.00) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL3762769 0.95 CYP1A2 (1.00) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL3625077 0.95 CYP1A2 (1.00) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL10789263 0.87 MAOA (0.77) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL10793789 0.83 ALDH1A1 (0.77) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL9336449 0.83 KDM4E (0.71) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL10791718 0.82 CYP1A2 (0.77) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL14041102 0.81 KDM4E (0.68) MAOAALDH1A1KDM4EHPGDTSHR
SCHEMBL21101364 0.81 KDM4E (0.68) MAOAALDH1A1KDM4EHPGDTSHR

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 9 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
US-4618622-A ANTIDEPRESSANTS, ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0111746-A2 Sulfonic-acid esters of hydroxycoumarines, their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1984-06-27 EP disclosed
US-4382943-A DIHYDROCYCLOPENTA/C//1/BENZOPYRAN-4-/1H/ONES BOEHRINGER MANNHEIM GMBH (DE) 1983-05-10 US disclosed
EP-0043535-A1 Tricyclic arylic ethers, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1982-01-13 EP 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 MAOA 727/4885ALDH1A1 611/4885KDM4E 1129/4885
US-20050154050-A1 Compound HSD17B11, NR5A1, CYP17A1 MAOA 727/4885ALDH1A1 611/4885KDM4E 1129/4885

“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.