SCHEMBL228278

SCHEMBL228278

COc1ccc(C(C)(C)C(=O)c2ccc(OC)cc2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
CYP3A4 P08684 6/20 0.58
HPGD P15428 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 4/20 0.58
LMNA P02545 5/20 0.53
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
PGR P06401 2/20 0.53
SLC6A2 P23975 2/20 0.53
ALOX15 P16050 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
AR P10275 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
ADRA1A P35348 1/20 0.53
HIF1A Q16665 1/20 0.53
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51

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
SCHEMBL13543158 0.87 NPC1 (0.68) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL226546 0.84 NPC1 (0.58) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL2488208 0.76 LMNA (0.68) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL29633633 0.76 LMNA (0.68) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL1514997 0.76 NPC1 (1.00) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL38652 0.76 NPC1 (1.00) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL29365072 0.76 NPC1 (1.00) NPC1RAB9ACYP3A4HPGDALDH1A1
Paeonol SCHEMBL3710243 0.74 HPGD (1.00) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL29380756 0.74 NPC1 (0.96) NPC1RAB9ACYP3A4HPGDALDH1A1
SCHEMBL6851855 0.74 NPC1 (0.75) NPC1RAB9ACYP3A4HPGDALDH1A1

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 NPC1 3807/4885RAB9A 2404/4885CYP3A4 2043/4885
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 NPC1 2132/4885RAB9A 1076/4885CYP3A4 3479/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 NPC1 3695/4885RAB9A 2428/4885CYP3A4 1608/4885

“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.