SCHEMBL229397

SCHEMBL229397

COc1ccc2c(c1)CCC(c1ccc(F)cc1[N+](=O)[O-])C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
ACHE P22303 2/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP26A1 O43174 1/20 0.38

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
SCHEMBL6421018 0.91 ALDH1A1 (0.42) RAB9AALDH1A1MEN1KMT2ACA1
SCHEMBL29097355 0.84 ESR2 (0.48) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL30616508 0.84 ESR2 (0.48) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL229270 0.80 DRD2 (0.47) ALDH1A1CA1CA2ACHECA9
SCHEMBL227600 0.78 DRD2 (0.47) ALDH1A1CA1CA2ACHECA9
SCHEMBL15718813 0.75 ALDH1A1 (0.50) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL226728 0.73 DRD2 (0.49) CA1CA2ACHEDRD2DRD3
SCHEMBL226147 0.73 DRD2 (0.52) CA1CA2ACHEDRD2DRD3
SCHEMBL31016408 0.71 RAB9A (0.76) RAB9AALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL2828615 0.71 CA1 (0.47) CA1CA2ACHEDRD2DRD3

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 RAB9A 2404/4885ALDH1A1 1111/4885MEN1 2262/4885
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 RAB9A 1076/4885ALDH1A1 2275/4885MEN1 231/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 RAB9A 2428/4885ALDH1A1 1214/4885MEN1 2539/4885

“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.