SCHEMBL17521815

SCHEMBL17521815

Cn1c2cc3c4ccc5cc(-c6ccc(-c7cccs7)s6)ccc5c4n(C)c3cc2c2ccc3cc(-c4ccc(-c5cccs5)s4)ccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.37
▸ PGR P06401 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ERN1 O75460 1/20 0.32
▸ PRNP P04156 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
SCHEMBL17521802 0.94 MAOB (0.38) DPP4PGRNR4A2KDM4EALDH1A1
SCHEMBL17521819 0.85 PRNP (0.40) PGRKDM4EALDH1A1RAB9AMAPT
SCHEMBL9979918 0.82 NR4A2 (0.43) DPP4NR4A2KDM4EALDH1A1NPC1
SCHEMBL17521826 0.81 DPP4 (0.39) DPP4KDM4EALDH1A1NPC1RAB9A
SCHEMBL17521787 0.80 KDM4E (0.33) DPP4KDM4EALDH1A1NPC1RAB9A
SCHEMBL17521800 0.79 HSD17B1 (0.42) MAOAPRNP
SCHEMBL17521805 0.75 PRNP (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12249817 0.74 ALKBH5 (0.46) KDM4EALDH1A1GAAMAPT
SCHEMBL17521829 0.74 ESR1 (0.34) —
SCHEMBL14379746 0.74 PGR (0.46) DPP4PGRKDM4EALDH1A1NPC1

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 DPP4 3937/4885PGR 2544/4885NR4A2 1711/4885

“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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