SCHEMBL224709

SCHEMBL224709

COc1ccc(-c2ccc3cc(OC)ccc3c2)c([N+]#N)c1.F[B-](F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.53
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
CYP11B2 P19099 10/20 0.44
CYP11B1 P15538 9/20 0.44
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP17A1 P05093 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2B6 P20813 2/20 0.43
PTGS2 P35354 1/20 0.43
CYP2A6 P11509 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP3A5 P20815 1/20 0.41

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
SCHEMBL28849676 0.82 SMN1; SMN2 (0.50) GSTP1HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL8501250 0.79 PIN1 (0.47) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL8497285 0.78 PIN1 (0.46) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL11409076 0.76 CA12 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL1964108 0.74 CA1 (0.34) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5981063 0.74 GSTP1 (0.62) GSTP1HSD17B1HSD17B2CYP11B2CYP11B1
SCHEMBL3136387 0.72 HTT (0.37) CYP1A2CYP2A6NPC1RAB9A
SCHEMBL6297073 0.72 CA12 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL10564377 0.72 CA12 (0.48) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL12051687 0.72 HSD17B1 (0.83) GSTP1HSD17B1HSD17B2CYP11B2CYP11B1

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 GSTP1 1336/4885HSD17B1 72/4885HSD17B2 82/4885
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 GSTP1 1586/4885HSD17B1 701/4885HSD17B2 735/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 GSTP1 1136/4885HSD17B1 80/4885HSD17B2 82/4885

“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.