SCHEMBL4514623

SCHEMBL4514623

CC1(O[Si](C)(C)C(C)(C)C)CC2CCCC(=O)N2C(c2ccc(F)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
NR3C1 P04150 1/20 0.30
GLUL P15104 1/20 0.30

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
SCHEMBL4514628 1.00 ALDH1A1 (0.35) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4498950 0.77 ALDH1A1 (0.36) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4511386 0.77 ALDH1A1 (0.36) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL12096386 0.77 ALDH1A1 (0.36) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4498947 0.77 ALDH1A1 (0.36) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4521223 0.77 ALDH1A1 (0.38) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL5130772 0.77 ALDH1A1 (0.38) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4521220 0.77 ALDH1A1 (0.38) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4511392 0.71 TSHR (0.48) ALDH1A1MEN1TSHRKMT2AHCRTR1
SCHEMBL4511395 0.71 TSHR (0.48) ALDH1A1MEN1TSHRKMT2AHCRTR1

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
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 ALDH1A1 869/4885MEN1 184/4885TSHR 4749/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885MEN1 184/4885TSHR 4749/4885

“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.