SCHEMBL16767802

SCHEMBL16767802

Cc1cc(C)c(-c2cc3sc4cc(-c5cccc(Br)c5)sc4c3s2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAOB P27338 3/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ CASP3 P42574 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
SCHEMBL16767806 0.80 KIF11 (0.39) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL10054538 0.80 HSD17B10 (0.33) RAPGEF4SMN1; SMN2MAPTPKM
SCHEMBL14882384 0.78 HSD17B10 (0.32) RAPGEF4SMN1; SMN2MAPTPKM
SCHEMBL17209586 0.75 ALDH1A1 (0.52) RAPGEF4ALDH1A1MAPK1NPC1RAB9A
SCHEMBL19521963 0.75 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL20110430 0.74 BRD4 (0.34) ALDH1A1MAPK1NPC1RAB9AKDM4E
SCHEMBL16767781 0.73 ALDH1A1 (0.45) ALDH1A1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL14225400 0.72 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL19731128 0.69 ESR1 (0.49) ALDH1A1KDM4ESMN1; SMN2GAAHSD17B1
SCHEMBL14225443 0.69 IKBKB (0.46) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310660-B2 Organic compound and electrochromic element including the same CANON KABUSHIKI KAISHA (JP) 2016-04-12 — — US disclosed
US-9310660-B2 Organic compound and electrochromic element including the same CANON KABUSHIKI KAISHA (JP) 2016-04-12 — — US disclosed
US-20150153624-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2015-06-04 — — US disclosed
US-20150153624-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2015-06-04 — — 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-20150153624-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT INCLUDING THE SAME ETV6, H1-0, HCN2 RAPGEF4 3092/4885ALDH1A1 565/4885MAPK1 849/4885

“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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