SCHEMBL5085007

SCHEMBL5085007

Cc1c(Br)ccc2cc(C=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.40
CYP2A6 P11509 7/20 0.39
ALDH1A1 P00352 7/20 0.38
ALDH3A1 P30838 1/20 0.38
ERN1 O75460 1/20 0.37
TSHR P16473 1/20 0.35
KIF11 P52732 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL14388339 0.80 CYP2A6 (0.40) ALDH1A3CYP2A6ALDH1A1TSHRKIF11
SCHEMBL4358501 0.79 ESR1 (0.53) CYP2A6ALDH1A1ERN1RAB9AKDM4E
SCHEMBL9127399 0.78 CYP2A6 (0.48) CYP2A6ALDH1A1ERN1TSHRKIF11
SCHEMBL12143567 0.76 ALDH1A1 (0.58) ALDH1A3CYP2A6ALDH1A1TSHRKDM4E
SCHEMBL11809502 0.76 ERN1 (0.56) ALDH1A3CYP2A6ALDH1A1ERN1KIF11
SCHEMBL6042829 0.75 CYP2A6 (0.43) CYP2A6ALDH1A1ERN1KDM4EMAPT
SCHEMBL5385215 0.74 ALDH1A1 (0.48) ALDH1A3CYP2A6ALDH1A1ALDH3A1ERN1
SCHEMBL9798242 0.72 CYP2A6 (0.44) CYP2A6ALDH1A1TSHRKIF11RAB9A
SCHEMBL2878046 0.72 ALDH1A1 (0.45) ALDH1A3CYP2A6ALDH1A1ALDH3A1TSHR
SCHEMBL1788343 0.72 ALDH1A1 (0.49) ALDH1A3CYP2A6ALDH1A1ALDH3A1TSHR

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-8872422-B2 Dinaphthyl ethylene derivativce, process for preparing it, film prepared from it, and OLED including the film TSINGHUA UNIVERSITY (CN) 2014-10-28 US disclosed
US-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films TSINGHUA UNIVERSITY (CN) 2008-09-11 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-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films EED, DDT, RABL6 ALDH1A3 306/4885CYP2A6 1744/4885ALDH1A1 811/4885

“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.