SCHEMBL229017

SCHEMBL229017

COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(CCNC(=O)c2ccc(C(C)(C)C(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NAMPT P43490 2/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
DHODH Q02127 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 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
SCHEMBL229019 1.00 TRPV1 (0.39) TRPV1NQO2MTNR1AMTNR1BNAMPT
SCHEMBL15876484 0.87 TRPV1 (0.42) TRPV1NQO2MTNR1AMTNR1BNAMPT
SCHEMBL227257 0.86 MAPT (0.44) TRPV1NAMPT
SCHEMBL227259 0.86 MAPT (0.44) TRPV1NAMPT
SCHEMBL229018 0.82 CYP1A2 (0.36) MTNR1AMTNR1BPTGDR2ESR1ESR2
SCHEMBL229016 0.80 ESR1 (0.42) ESR1ESR2KMT2A
SCHEMBL226132 0.78 MAPT (0.43) TRPV1NAMPT
SCHEMBL226130 0.78 MAPT (0.43) TRPV1NAMPT
SCHEMBL225828 0.75 ESR1 (0.44) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL225827 0.75 ESR1 (0.44) NQO2MTNR1AMTNR1BESR1ESR2

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 TRPV1 905/4885NQO2 2701/4885MTNR1A 32/4885
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 TRPV1 3050/4885NQO2 2536/4885MTNR1A 504/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 TRPV1 681/4885NQO2 2452/4885MTNR1A 34/4885

“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.