SCHEMBL227719

SCHEMBL227719

O=C(O)c1ccc(CCN2CCCCCC2)s1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
KMT2A Q03164 5/20 0.42
SLC6A3 Q01959 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 2/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 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
SCHEMBL2741687 0.98 SIGMAR1 (0.45) SIGMAR1ALDH1A1HPGDHRH3KMT2A
Lithium Ion SCHEMBL227718 0.84 HRH3 (0.42) SIGMAR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL8183430 0.82 AOC3 (0.45) SIGMAR1ALDH1A1HPGDHRH3KMT2A
Hydrochloric Acid SCHEMBL8176778 0.81 HRH3 (0.58) ALDH1A1HPGDHRH3KMT2AGFER
SCHEMBL3592586 0.81 HRH3 (0.57) ALDH1A1HPGDHRH3CYP2D6CYP2C9
SCHEMBL11132738 0.73 POLB (0.51) ALDH1A1HPGDHRH3KMT2AGFER
SCHEMBL11119220 0.72 POLB (0.53) SIGMAR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL226521 0.72 TDP1 (0.51) SIGMAR1ALDH1A1HRH3SLC6A3L3MBTL1
SCHEMBL11135569 0.72 POLB (0.55) SIGMAR1ALDH1A1HPGDKMT2AGFER
SCHEMBL6894878 0.71 DAO (0.47) ALDH1A1HPGDKMT2AMEN1POLB

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 SIGMAR1 778/4885ALDH1A1 1111/4885HPGD 2425/4885
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 SIGMAR1 2885/4885ALDH1A1 2275/4885HPGD 2727/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 SIGMAR1 743/4885ALDH1A1 1214/4885HPGD 2415/4885

“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.