SCHEMBL9948836

SCHEMBL9948836

CCCCCCCCCCCCCCCc1csc2c1sc1c(CCCCCCCCCCCCCCC)csc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.53
LIPG Q9Y5X9 1/20 0.39
TYR P14679 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 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
SCHEMBL1156982 1.00 GPR35 (0.53) GPR35LIPGTYRTP53CYP3A4
SCHEMBL1156975 1.00 GPR35 (0.53) GPR35LIPGTYRTP53CYP3A4
SCHEMBL12409103 0.98 GPR35 (0.51) GPR35LIPGTYRTP53CYP3A4
SCHEMBL12409090 0.98 GPR35 (0.51) GPR35LIPGTYRTP53CYP3A4
SCHEMBL1156657 0.98 GPR35 (0.51) GPR35LIPGTYRTP53CYP3A4
SCHEMBL1364625 0.98 GPR35 (0.51) GPR35LIPGTYRTP53CYP3A4
SCHEMBL1156653 0.98 GPR35 (0.51) GPR35LIPGTYRTP53CYP3A4
SCHEMBL1363005 0.98 GPR35 (0.51) GPR35LIPGTYRTP53CYP3A4
SCHEMBL1157293 0.91 GPR35 (0.55) GPR35LIPGTYRTP53CYP3A4
SCHEMBL12060960 0.90 GPR35 (0.46) GPR35LIPGTYRTP53CYP3A4

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 5 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-9166167-B2 P-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-20 US disclosed
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
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 GPR35 4807/4885LIPG 3714/4885TYR 924/4885

“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.