SCHEMBL9948709

SCHEMBL9948709

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NOD2 Q9HC29 1/20 0.37
PLA2G4A P47712 1/20 0.37
AKT1 P31749 1/20 0.37
IRS1 P35568 1/20 0.37
GAB1 Q13480 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL1364647 0.88 GPR35 (0.49) GPR35L3MBTL1PLA2G4AAKT1IRS1
SCHEMBL1157118 0.88 GPR35 (0.49) GPR35L3MBTL1PLA2G4AAKT1IRS1
SCHEMBL1157064 0.88 GPR35 (0.49) GPR35L3MBTL1PLA2G4AAKT1IRS1
SCHEMBL1365121 0.88 GPR35 (0.49) GPR35L3MBTL1PLA2G4AAKT1IRS1
SCHEMBL13961926 0.88 GPR35 (0.65) GPR35L3MBTL1KDM4EPLA2G4AAKT1
SCHEMBL9948994 0.86 GPR35 (0.66) GPR35
SCHEMBL18558705 0.82 GPR35 (0.58) GPR35L3MBTL1KDM4EPLA2G4AAKT1
SCHEMBL12704404 0.81 GPR35 (0.56) GPR35L3MBTL1KDM4ENOD2PLA2G4A
SCHEMBL12374321 0.81 GPR35 (0.74) GPR35L3MBTL1KDM4EPLA2G4AAKT1
SCHEMBL1593215 0.81 GPR35 (0.74) GPR35L3MBTL1KDM4EPLA2G4AAKT1

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 GPR35 4807/4885L3MBTL1 3158/4885KDM4E 3679/4885

“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.