SCHEMBL9948994

SCHEMBL9948994

CCCCCCCCCCCCCCCc1csc2c1sc1c(CCCCCCCCCCCCCCC)c(C(=O)O)sc12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.66
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL12487323 0.93 GPR35 (0.75) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL1157327 0.93 GPR35 (0.75) GPR35BIDMCL1BCL2L1BAK1
Acetic Acid SCHEMBL2175833 0.91 GPR35 (0.71) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL1158480 0.87 GPR35 (0.68) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL1363151 0.87 GPR35 (0.68) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL1365741 0.87 GPR35 (0.68) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL1157009 0.87 GPR35 (0.68) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL12487331 0.87 GPR35 (0.87) GPR35
SCHEMBL2180174 0.86 GPR35 (0.65) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL9948709 0.86 GPR35 (0.49) GPR35

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 3 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-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 4807/4885BID 4883/4885MCL1 3969/4885

“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.