SCHEMBL17521787

SCHEMBL17521787

Cn1c2cc3c4ccc5cc(C#Cc6ccc(-c7cccs7)s6)ccc5c4n(C)c3cc2c2ccc3cc(C#Cc4ccc(-c5cccs5)s4)ccc3c21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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 0.80 DPP4 (0.37) KDM4ENPC1ALDH1A1RAB9AMAOA
SCHEMBL17521802 0.75 MAOB (0.38) KDM4ENPC1ALDH1A1RAB9AMAOA
SCHEMBL17521826 0.75 DPP4 (0.39) KDM4ENPC1ALDH1A1RAB9AMAOA
SCHEMBL17521804 0.75 CYP1B1 (0.54) NPC1ALDH1A1RAB9ACYP1A1CYP1A2
SCHEMBL15024908 0.70 ALDH1A1 (0.35) KDM4EALDH1A1DPP4
SCHEMBL12964717 0.70 LTA4H (0.50) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15180626 0.69 DPP4 (0.35) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12964715 0.69 DPP4 (0.52) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18674375 0.66 GRM5 (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2DPP4
SCHEMBL17521791 0.66 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1RAB9AMAOA

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 KDM4E 1037/4885NPC1 3362/4885ALDH1A1 2876/4885

“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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