SCHEMBL19322017

SCHEMBL19322017

Cc1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PREP P48147 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL1716656 0.85 CA12 (0.33) CA12CA1CA9ALOX5APFEN1
SCHEMBL19317225 0.85 POLB (0.40) MAPTCA12CA1CA9ALOX5AP
SCHEMBL18359522 0.83 ALOX5AP (0.37) CA12CA1CA9ALOX5APFEN1
SCHEMBL28684211 0.80 DRD2 (0.35) CA12CA1CA9ALOX5APFEN1
SCHEMBL5682347 0.80 HTR2A (0.40) KDM4ECYP1A2CYP2A6
SCHEMBL19306468 0.79 SRC (0.46) CA12CA1CA9PREPALDH1A1
SCHEMBL347732 0.79 CYP1A2 (0.36) CA12CA1CA9KMT2ACYP2C9
SCHEMBL8695508 0.78 CYP1A2 (0.39) CA12CA1CA9ALOX5APFEN1
SCHEMBL1716078 0.77 POLB (0.32) PREPNPSR1
SCHEMBL6964317 0.77 PREP (0.35) MAPTCA12CA1CA9PREP

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
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 MAPT 1648/4885GLA 4266/4885CA12 4234/4885

“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.