SCHEMBL1997781

SCHEMBL1997781

CC(C)(COc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MMP2 P08253 4/20 0.47
SSTR4 P31391 1/20 0.46
AR P10275 4/20 0.46
MMP3 P08254 2/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
RAB9A P51151 2/20 0.43
MGLL Q99685 1/20 0.43
PTGER4 P35408 1/20 0.42
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2741677 0.84 ALDH1A1 (0.44) MAPTALDH1A1MMP2SSTR4AR
SCHEMBL18260775 0.81 TDP1 (0.43) MAPTSSTR4PPARARAB9AKDM4E
SCHEMBL18260911 0.81 RXRA (0.43) MAPTSSTR4KDM4EMEN1LMNA
SCHEMBL1999898 0.79 ALDH1A1 (0.43) MAPTALDH1A1PPARAKDM4ELMNA
SCHEMBL13520469 0.78 AR (0.54) MAPTALDH1A1MMP2ARMMP3
SCHEMBL14263051 0.78 AR (0.54) MAPTALDH1A1MMP2ARMMP3
SCHEMBL12378041 0.78 AR (0.54) MAPTALDH1A1MMP2ARMMP3
SCHEMBL4843719 0.77 MAPT (0.49) MAPTALDH1A1MMP2ARMMP3
SCHEMBL18260808 0.77 ALDH1A1 (0.50) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL10062799 0.76 AR (0.55) MAPTALDH1A1MMP2ARMMP3

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 6 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-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 (2 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 MAPT 3989/4885ALDH1A1 1111/4885MMP2 3730/4885
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 MAPT 2593/4885ALDH1A1 2275/4885MMP2 4259/4885

“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.