SCHEMBL3746947

SCHEMBL3746947

C[C@@H](OC(=O)CC(CC(=O)O[C@H](C)c1cccc2ccccc12)O[Si](C)(C)C(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 2/20 0.36
CASR P41180 1/20 0.36
CASP1 P29466 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3746946 0.96 CYP2C9 (0.41) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL6416045 0.76 CYP2C9 (0.41) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL14393827 0.75 KMT2A (0.42) CYP2C9HPGDCYP2C19HTTMEN1
SCHEMBL3716250 0.73 ALDH1A1 (0.46) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL15203274 0.72 KMT2A (0.45) LMNAEPHX2MEN1KMT2A
SCHEMBL5932136 0.72 ALDH1A1 (0.45) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL5932125 0.72 ALDH1A1 (0.44) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL7515731 0.72 ALDH1A1 (0.44) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL9375305 0.71 EPHX2 (0.39) CYP2C9CYP2C19EPHX2
SCHEMBL7562962 0.70 HCAR2 (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735609-B2 Bryostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-05-27 US disclosed
US-20100280262-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-11-04 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-20100280262-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES MCL1, PBK, BID CYP2C9 4824/4885HPGD 3344/4885CYP2C19 4814/4885

“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.