SCHEMBL228937

SCHEMBL228937

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
LMNA P02545 1/20 0.39
MMP2 P08253 4/20 0.39
MMP3 P08254 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL224133 0.83 ALDH1A1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL228521 0.79 ALDH1A1 (0.41) ALDH1A1MAPTLMNAHRH3MAOB
SCHEMBL2030849 0.76 OPRL1 (0.38)
SCHEMBL17363042 0.73 CTDSP1 (0.42) ALDH1A1MAPTLMNARAB9A
SCHEMBL1352509 0.73 OPRL1 (0.39)
SCHEMBL2508530 0.72 OPRL1 (0.42)
SCHEMBL17363078 0.71 CTDSP1 (0.39) ALDH1A1MAPTLMNARAB9A
SCHEMBL17363079 0.71 MRGPRX4 (0.32) ALDH1A1MAPTLMNA
SCHEMBL4419864 0.70 LMNA (0.46) ALDH1A1MAPTPTGER4PTGER2PTGDR
SCHEMBL227546 0.69 ALDH1A1 (0.46) ALDH1A1MAPTMMP2MMP3PPARD

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885MAPT 3856/4885PTGER4 234/4885

“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.