SCHEMBL224133

SCHEMBL224133

CC(C)(C)N(C(=O)O)C1(COc2ccc(C=O)cc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 2/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL228937 0.83 ALDH1A1 (0.40) ALDH1A1LMNAMAPT
SCHEMBL227163 0.80 ALDH1A1 (0.43) ALDH1A1HPGDPARP1LMNAMAPT
SCHEMBL2580575 0.72 DGAT1 (0.44) ALDH1A1HPGDPARP1KMT2AMEN1
SCHEMBL2002915 0.70 ALDH1A1 (0.41) ALDH1A1HPGDPARP1LMNAMAPT
SCHEMBL1299701 0.70 HPGD (0.63) ALDH1A1HPGDPARP1LMNAMAPT
SCHEMBL2741679 0.70 P2RX7 (0.40) ALDH1A1HPGDPARP1LMNAMAPT
SCHEMBL17728285 0.69 ALDH1A1 (0.47) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL226788 0.69 ALDH1A1 (0.41) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL16838854 0.68 HPGD (0.52) ALDH1A1HPGDPARP1LMNAMAPT
SCHEMBL17363051 0.67 LMNA (0.30) LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 ALDH1A1 2275/4885HPGD 2727/4885PARP1 738/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885HPGD 2415/4885PARP1 2050/4885

“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.