SCHEMBL223577

SCHEMBL223577

COc1ccc2cc(B3OCCCO3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
SNCA P37840 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
GSTP1 P09211 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL7590739 0.84 CA1 (0.44) SNCAMAPK1KDM4EL3MBTL1CA12
SCHEMBL6826334 0.81 ACHE (0.41) L3MBTL1ALDH1A1CA1CA7CA9
SCHEMBL7214928 0.79 LPL (0.40) CYP2A6CYP1A2KDM4EHSD17B10ALDH1A1
SCHEMBL14983483 0.77 ALDH1A1 (0.36) KDM4EHSD17B10CASP1ALDH1A1
SCHEMBL14983500 0.76 CA1 (0.48) SNCAMEN1KMT2AMAPK1KDM4E
SCHEMBL2508208 0.75 SNCA (0.54) CYP2A6CYP1A2HSD17B1HSD17B2SNCA
SCHEMBL30276774 0.75 SNCA (0.54) CYP2A6CYP1A2HSD17B1HSD17B2SNCA
SCHEMBL14985997 0.74 ACHE (0.44) L3MBTL1ALDH1A1CA1CA4CA7
SCHEMBL26657327 0.73 CA12 (0.46) CYP2A6CYP1A2MEN1KMT2AKDM4E
SCHEMBL5778605 0.72 LPL (0.53) CYP2A6CYP1A2HSD17B1HSD17B2SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 CYP2A6 589/4885CYP1A2 1193/4885HSD17B1 72/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 CYP2A6 1276/4885CYP1A2 3203/4885HSD17B1 701/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP2A6 498/4885CYP1A2 992/4885HSD17B1 80/4885

“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.