SCHEMBL3780304

SCHEMBL3780304

CCCCCCCCCCCCc1cc(-c2ccc3ccccc3c2)sc1-c1cc2sc(-c3sc(-c4ccc5ccccc5c4)cc3CCCCCCCCCCCC)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ MAOA P21397 3/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ CETP P11597 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ LTB4R Q15722 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL3774900 0.91 TLR8 (0.36) ESR1ESR2TLR8MAOALIPG
SCHEMBL5575415 0.89 TLR8 (0.36) ESR1ESR2TLR8MAOALIPG
SCHEMBL3785091 0.86 LTB4R (0.41) LIPGLTB4RNPC1RAB9ASMN1; SMN2
SCHEMBL3787116 0.79 LIPG (0.40) LIPGLTB4RSMN1; SMN2MAPT
SCHEMBL12921564 0.78 MAPT (0.34) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL12921568 0.78 MAPT (0.34) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL13446389 0.78 LTB4R (0.42) LIPGLTB4RNPC1RAB9ASMN1; SMN2
SCHEMBL13410246 0.77 ESR1 (0.32) ESR1ESR2MAPT
SCHEMBL12921559 0.77 ALOX15 (0.34) MAPT
SCHEMBL13410145 0.76 ESR1 (0.31) ESR1ESR2MAPT

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 ESR1 1535/4885ESR2 1268/4885TLR8 2849/4885

“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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