SCHEMBL228900

SCHEMBL228900

COC(=O)c1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.71
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HRH3 Q9Y5N1 4/20 0.58
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.57
GLA P06280 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL1335735 1.00 CHKA (0.71) CHKAHDAC1HDAC8HDAC6KDM4E
Hydrochloric Acid SCHEMBL28573230 0.98 CHKA (0.69) CHKAHDAC1HDAC8HDAC6KDM4E
SCHEMBL2873979 0.98 CHKA (0.72) CHKAHDAC1HDAC8HDAC6KDM4E
Hydrochloric Acid SCHEMBL3882134 0.97 CHKA (0.71) CHKAHDAC1HDAC8HDAC6KDM4E
SCHEMBL20210248 0.95 CHKA (0.77) CHKAHDAC1HDAC8HDAC6KDM4E
SCHEMBL17078509 0.87 CHKA (0.57) CHKAHDAC1HDAC8HDAC6KDM4E
SCHEMBL64588 0.86 CHKA (0.82) CHKAHDAC1HDAC8HDAC6KDM4E
SCHEMBL19609177 0.86 CHKA (0.65) CHKAHDAC6KDM4ESMN1; SMN2MAPK1
SCHEMBL4367804 0.86 CHKA (0.82) CHKAHDAC1HDAC8HDAC6KDM4E
SCHEMBL10899174 0.86 MAPT (0.74) CHKAKDM4ESMN1; SMN2MAPK1ALDH1A1

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 CHKA 2407/4885HDAC1 70/4885HDAC8 179/4885
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 CHKA 2197/4885HDAC1 128/4885HDAC8 275/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CHKA 2180/4885HDAC1 157/4885HDAC8 307/4885

“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.