SCHEMBL227546

SCHEMBL227546

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MMP2 P08253 6/20 0.44
MMP3 P08254 3/20 0.43
AR P10275 4/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL5222008 0.83 RAB9A (0.43) MAPTPPARARAB9A
SCHEMBL18281760 0.82 TDP1 (0.41) ALDH1A1MAPTRAB9AMAOB
SCHEMBL18282027 0.82 RXRA (0.41) RAB9A
SCHEMBL227612 0.81 AR (0.47) AR
SCHEMBL226788 0.80 ALDH1A1 (0.41) ALDH1A1MAPTPPARA
SCHEMBL227191 0.78 ALDH1A1 (0.45) ALDH1A1MAPTMMP2MMP3AR
SCHEMBL13520469 0.76 AR (0.54) ALDH1A1MAPTMMP2MMP3AR
SCHEMBL14263051 0.76 AR (0.54) ALDH1A1MAPTMMP2MMP3AR
SCHEMBL12378041 0.76 AR (0.54) ALDH1A1MAPTMMP2MMP3AR
SCHEMBL1997781 0.74 MAPT (0.48) ALDH1A1MAPTMMP2MMP3AR

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 4 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ALDH1A1 1111/4885MAPT 3989/4885MMP2 3730/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885MAPT 3856/4885MMP2 3642/4885

“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.