SCHEMBL10018141

SCHEMBL10018141

CCCCCCCCCCCCCCCc1c(-c2ccc(C)s2)sc2c1sc1c(CCCCCCCCCCCCCCC)c(-c3ccc(-c4ccc(C5=C6C(=O)N(CCCCCCCCCCCC)C(c7ccc(C)s7)=C6C(=O)N5CCCCCCCCCCCC)s4)s3)sc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
HSF1 Q00613 1/20 0.31
CES1 P23141 2/20 0.31
CDC25A P30304 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
G6PD P11413 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL12017136 1.00 PTGS1 (0.32) PTGS1PTGS2MGLLFAAHHSF1
SCHEMBL12017135 0.95 HSF1 (0.30) HSF1
SCHEMBL17973339 0.94
SCHEMBL16921206 0.93 MEN1 (0.30) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL26049768 0.90
SCHEMBL17973343 0.89
SCHEMBL17973342 0.89
SCHEMBL17973336 0.89
SCHEMBL17973340 0.88
SCHEMBL17973341 0.88

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-9166167-B2 P-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-20 US disclosed
US-20120161117-A1 P-TYPE MATERIALS AND ORGANIC ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-06-28 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-20120161117-A1 P-TYPE MATERIALS AND ORGANIC ELECTRONIC DEVICES POP1, CACNA1A, PNN PTGS1 1204/4885PTGS2 1776/4885MGLL 4645/4885

“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.