SCHEMBL3746946

SCHEMBL3746946

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CASP1 P29466 2/20 0.39
EPHX2 P34913 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PTGER4 P35408 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CASR P41180 1/20 0.34
CASP3 P42574 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
SCHEMBL3746947 0.96 CYP2C9 (0.36) CYP2C9HPGDCYP2C19HTTCASP1
SCHEMBL14700384 0.76 KLK7 (0.36) PPARGPPARAALDH1A1
SCHEMBL6416045 0.73 CYP2C9 (0.41) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL2636857 0.72 SMN1; SMN2 (0.35) LMNA
SCHEMBL14393827 0.72 KMT2A (0.42) CYP2C9HPGDCYP2C19HTTMETAP2
SCHEMBL5932136 0.71 ALDH1A1 (0.45) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL1295670 0.71 LMNA (0.31) LMNA
SCHEMBL14700383 0.71 CASP1 (0.37) CASP1ALDH1A1
SCHEMBL24111210 0.71 LTA4H (0.46)
SCHEMBL8806860 0.70 LMNA (0.36) CYP2C9CASP1ALDH1A1HSD17B10LMNA

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.