SCHEMBL14768876

SCHEMBL14768876

Cc1ccc([N+](=O)[O-])cc1Cc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
TSHR P16473 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
CYP3A4 P08684 5/20 0.58
PDE2A O00408 1/20 0.53
PDE5A O76074 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
PDE4A P27815 1/20 0.53
BLM P54132 1/20 0.53
PDE1B Q01064 1/20 0.53
PMP22 Q01453 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE7A Q13946 1/20 0.53
PDE1C Q14123 1/20 0.53
PDE7B Q9NP56 1/20 0.53
ACHE P22303 2/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10918768 0.89 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL10175659 0.88 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL10340535 0.86 CYP3A4 (0.55) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL6206215 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL29796062 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL3075925 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL502546 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL14097760 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL30780892 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL694999 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A

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-9348252-B2 Image forming apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2016-05-24 US disclosed
US-20160011537-A1 Image Forming Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2016-01-14 US disclosed
US-8933208-B2 Photo-responsive liquid crystalline compound and its applications NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-01-13 US disclosed
US-20130066068-A1 PHOTO-RESPONSIVE LIQUID CRYSTALLINE COMPOUND AND ITS APPLICATIONS NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-03-14 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-20130066068-A1 PHOTO-RESPONSIVE LIQUID CRYSTALLINE COMPOUND AND ITS APPLICATIONS CRY1, CRY2, CRYAA ALDH1A1 2525/4885TSHR 2939/4885TDP1 3906/4885

“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.