SCHEMBL19912096

SCHEMBL19912096

CCc1ccc2sc3c4cc5cc(-c6ccccc6)ccc5cc4sc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ PIM1 P11309 3/20 0.39
▸ PIM2 Q9P1W9 3/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ LIMK1 P53667 2/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ F9 P00740 3/20 0.35
▸ MAPKAPK2 P49137 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ F10 P00742 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
SCHEMBL19912100 0.95 CYP1A2 (0.44) CYP1A2CYP2A6PIM1PIM2PIM3
SCHEMBL19912097 0.88 PSMB5 (0.39) PIM1PIM2PIM3LIMK1
SCHEMBL19912076 0.86 HSD11B1 (0.38) —
SCHEMBL19912084 0.86 HSD11B1 (0.38) —
SCHEMBL19912086 0.86 HSD11B1 (0.38) —
SCHEMBL19912110 0.86 HSD11B1 (0.38) —
SCHEMBL19912102 0.86 HSD11B1 (0.38) —
SCHEMBL25042118 0.85 ESR1 (0.47) CYP1A2PIM1PIM2PIM3LIMK1
SCHEMBL16672064 0.85 ESR1 (0.47) CYP1A2PIM1PIM2PIM3LIMK1
SCHEMBL16672063 0.85 ESR1 (0.47) CYP1A2PIM1PIM2PIM3LIMK1

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-20180062087-A1 Organic Compound, Organic Semiconductor Material, Organic Thin Film And Method For Producing The Same, Organic Semiconductor Composition, And Organic Semiconductor Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-03-01 — — US disclosed
US-20180062087-A1 Organic Compound, Organic Semiconductor Material, Organic Thin Film And Method For Producing The Same, Organic Semiconductor Composition, And Organic Semiconductor Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-03-01 — — 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-20180062087-A1 Organic Compound, Organic Semiconductor Material, Organic Thin Film And Method For Producing The Same, Organic Semiconductor Composition, And Organic Semiconductor Device PROX1, NONO, PIEZO1 CYP1A2 68/4885CYP2A6 1482/4885PIM1 268/4885

“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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