SCHEMBL229193

SCHEMBL229193

COc1ccc2c(c1)CC=C(c1ccc(OC)cc1Nc1ccc(OCCN3CCCCC3)c(F)c1)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
KDR P35968 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
AXL P30530 1/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
KIT P10721 2/20 0.38
ACHE P22303 2/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.37
MCHR1 Q99705 1/20 0.37
PTPN1 P18031 1/20 0.37
ESR1 P03372 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
SCHEMBL2741733 0.88 KDR (0.44) KDRHTR2AHTR2CAXLESR1
SCHEMBL228258 0.88 LTA4H (0.41) HTR2CACHEPTPN1ESR1
SCHEMBL224243 0.80 LTA4H (0.39) HTR2CACHEPTPN1ESR1
SCHEMBL225734 0.79 ESR1 (0.47) MAPK14KDRHTR2AHTR2CAXL
SCHEMBL228047 0.78 KDR (0.39) MAPK14KDRHTR2CAXLLCK
SCHEMBL223895 0.77 MCHR1 (0.46) MAPK14KDRAXLLCKSRC
SCHEMBL227945 0.77 HTR2A (0.42) MAPK14KDRHTR2AHTR2CAXL
SCHEMBL228154 0.76 PDE3B (0.42) MAPK14KDRHTR2AHTR2CAXL
SCHEMBL228240 0.76 AXL (0.41) MAPK14KDRHTR2AHTR2CAXL
SCHEMBL227847 0.76 ESR1 (0.46) MAPK14KDRHTR2AHTR2CAXL

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 MAPK14 3062/4885KDR 942/4885HTR2A 1494/4885
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 MAPK14 3280/4885KDR 3272/4885HTR2A 4425/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MAPK14 2734/4885KDR 884/4885HTR2A 1377/4885

“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.