SCHEMBL19912100

SCHEMBL19912100

CCc1ccc2cc3sc4c5cc(-c6ccccc6)ccc5sc4c3cc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ PIM1 P11309 6/20 0.41
▸ PIM2 Q9P1W9 6/20 0.41
▸ PIM3 Q86V86 4/20 0.41
▸ LIMK1 P53667 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ PTGS2 P35354 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL19912096 0.95 CYP1A2 (0.41) CYP1A2CYP2A6PIM1PIM2PIM3
SCHEMBL19912079 0.88 PSMB5 (0.41) PIM1PIM2PIM3LIMK1
SCHEMBL26330239 0.86 CYP1A2 (0.59) CYP1A2CYP2A6PIM1PIM2MAPT
SCHEMBL19912074 0.86 HSD11B1 (0.38) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL19912082 0.86 HSD11B1 (0.38) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL30423446 0.86 HSD11B1 (0.38) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL19912075 0.86 HSD11B1 (0.38) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL19912088 0.86 HSD11B1 (0.38) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL19912101 0.86 HSD11B1 (0.38) PIM1PIM2PIM3LIMK1MAPT
SCHEMBL16978730 0.85 LIMK1 (0.50) PIM1PIM2PIM3LIMK1ROCK1

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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