SCHEMBL17521802

SCHEMBL17521802

Cn1c2cc3c4ccc5cc(-c6ccc(-c7cccs7)s6)ccc5c4n(C)c3cc2c2ccc3cc(-c4ccccc4)ccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.38
▸ LIMK1 P53667 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ DPP4 P27487 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ PRNP P04156 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL17521815 0.94 DPP4 (0.37) DPP4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL17521819 0.82 PRNP (0.40) MAOBLIMK1KDM4EALDH1A1RAB9A
SCHEMBL17521828 0.82 MAOB (0.51) MAOBLIMK1HSD17B1HSD17B2MAOA
SCHEMBL17521800 0.81 HSD17B1 (0.42) MAOBLIMK1HSD17B1HSD17B2PRNP
SCHEMBL9979918 0.77 NR4A2 (0.43) DPP4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL17521813 0.76 MAOB (0.35) MAOBLIMK1HSD17B1HSD17B2ESR1
SCHEMBL17521826 0.76 DPP4 (0.39) DPP4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL17521787 0.75 KDM4E (0.33) DPP4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL17521811 0.74 MAOB (0.51) MAOBLIMK1NR4A2MAOAESR1
SCHEMBL17521812 0.73 MAOB (0.48) MAOBLIMK1NR4A2PRNPMAOA

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-9512131-B2 Organic semiconductor material for organic transistor, and organic transistor element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-12-06 — — US disclosed
US-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-02-18 — — 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-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT SLC43A1, ALKBH3, TPR MAOB 45/4885LIMK1 2809/4885MAPK14 3042/4885

“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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