SCHEMBL3787116

SCHEMBL3787116

CCCCCCCCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccccc5)s4)cc3s2)sc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.40
▸ DHFR P00374 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CYSLTR2 Q9NS75 6/20 0.36
▸ CYSLTR1 Q9Y271 6/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ LTB4R Q15722 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3785091 0.90 LTB4R (0.41) LIPGDHFRCNR1CNR2CYSLTR2
SCHEMBL21243813 0.90 LTB4R (0.44) LIPGDHFRCYSLTR2CYSLTR1LTB4R
SCHEMBL13446389 0.87 LTB4R (0.42) LIPGDHFRCYSLTR2CYSLTR1LTB4R
SCHEMBL3774900 0.85 TLR8 (0.36) LIPGDHFRTP53MAPTSMN1; SMN2
SCHEMBL85738 0.84 LTB4R (0.39) LIPGDHFRCNR1CNR2LTB4R
SCHEMBL85454 0.84 LTB4R (0.39) LIPGDHFRCNR1CNR2LTB4R
SCHEMBL12921568 0.82 MAPT (0.34) GPR35TP53MAPTSMN1; SMN2ALOX15
SCHEMBL12921564 0.82 MAPT (0.34) GPR35TP53MAPTSMN1; SMN2ALOX15
SCHEMBL85694 0.82 LTB4R (0.41) LIPGDHFRCNR1CNR2LTB4R
SCHEMBL85459 0.82 LTB4R (0.41) LIPGDHFRCNR1CNR2LTB4R

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-20100331550-A1 THIENOTHIOPHENE DERIVATIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-12-30 — — US claimed
US-8329915-B2 Thienothiophene derivatives NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-12-11 — — US disclosed
US-20100331550-A1 THIENOTHIOPHENE DERIVATIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-12-30 — — 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-20100331550-A1 THIENOTHIOPHENE DERIVATIVES TST, TPST2, TH LIPG 4767/4885DHFR 221/4885CNR1 3750/4885

“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.

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