SCHEMBL16319367

SCHEMBL16319367

CCCCCCCCCCCCCCCCc1cc2c(cc(CCCCCCCCCCCCCCCC)c3cc([Si](C(C)C)(C(C)C)C(C)C)sc32)c2sc([Si](C(C)C)(C(C)C)C(C)C)cc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.35
HTR2A P28223 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALOX5 P09917 4/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LIPG Q9Y5X9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTGS2 P35354 3/20 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
SCHEMBL19206982 0.93 TLR8 (0.33) TLR8HTR2AGPR35ALOX5MEN1
SCHEMBL20414673 0.75 GPR35 (0.38) TLR8GPR35ALOX5MEN1TP53
SCHEMBL17385649 0.74 GPR35 (0.38) TLR8GPR35ALOX5MEN1TP53
SCHEMBL17385793 0.74 GPR35 (0.38) TLR8GPR35ALOX5MEN1TP53
SCHEMBL17385662 0.74 GPR35 (0.38) TLR8GPR35ALOX5MEN1TP53
SCHEMBL17432922 0.69 GPR35 (0.36) TLR8GPR35ALOX5MEN1TP53
SCHEMBL12925115 0.67 GPR35 (0.37) TLR8GPR35ALOX5MEN1TP53
SCHEMBL15979452 0.66 GPR35 (0.38) TLR8GPR35ALOX5MEN1TP53
SCHEMBL15977970 0.66 GPR35 (0.38) TLR8GPR35ALOX5MEN1TP53
SCHEMBL19206977 0.66 GPR35 (0.36) TLR8GPR35ALOX5MEN1TP53

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-9018398-B2 Intermediate for acenedichalcogenophene derivative and method for synthesizing same NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2015-04-28 US disclosed
US-9018398-B2 Intermediate for acenedichalcogenophene derivative and method for synthesizing same NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2015-04-28 US disclosed
US-20150011780-A1 INTERMEDIATE FOR ACENEDICHALCOGENOPHENE DERIVATIVE AND METHOD FOR SYNTHESIZING SAME NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011780-A1 INTERMEDIATE FOR ACENEDICHALCOGENOPHENE DERIVATIVE AND METHOD FOR SYNTHESIZING SAME NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
EP-2816044-A1 INTERMEDIATE FOR ACENEDICHALCOGENOPHENE DERIVATIVE AND METHOD FOR SYNTHESIZING SAME National University of Corporation Hiroshima University (JP) 2014-12-24 EP 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-20150011780-A1 INTERMEDIATE FOR ACENEDICHALCOGENOPHENE DERIVATIVE AND METHOD FOR SYNTHESIZING SAME NAT1, CTRB2, SCO2 TLR8 1821/4885HTR2A 3748/4885GPR35 3305/4885

“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.