SCHEMBL2818491

SCHEMBL2818491

CC(C)(C)[Si](C)(C)OC(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccncc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
BRS3 P32247 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 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
SCHEMBL2771948 0.91 KDM4E (0.39) BRS3MMP12KDM4ENPC1ALDH1A1
SCHEMBL2814812 0.84 FAAH (0.43)
SCHEMBL2814345 0.81 FAAH (0.45) MMP12
SCHEMBL2860899 0.81 FAAH (0.35)
SCHEMBL2773691 0.80 BRS3 (0.42) BRS3
SCHEMBL2817023 0.79 FAAH (0.56)
SCHEMBL2809171 0.78 FAAH (0.56)
SCHEMBL2814405 0.78 FAAH (0.51)
SCHEMBL1471589 0.78 FAAH (0.49)
SCHEMBL2771966 0.78 FAAH (0.62)

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-20140045800-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-13 US disclosed
US-8372823-B2 Tetracyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-12 US disclosed
EP-2152082-B1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2012-08-29 EP disclosed
US-20100249078-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPS RESEARCH INSTITUTE (US) 2010-09-30 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-20100249078-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH S1PR1 635/4885BRS3 1973/4885MMP12 353/4885
US-20140045800-A1 TETRACYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH S1PR1 635/4885BRS3 1973/4885MMP12 353/4885

“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.