SCHEMBL22301347

SCHEMBL22301347

CCCC#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
MAPT P10636 4/20 0.50
HSP90AA1 P07900 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 2/20 0.50
S1PR2 O95136 1/20 0.50
OPRK1 P41145 1/20 0.50
FFAR1 O14842 1/20 0.49
TSHR P16473 4/20 0.48
LMNA P02545 1/20 0.48
ACHE P22303 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL6682672 0.91 ALDH1A1 (0.48) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6682165 0.88 NPSR1 (0.46) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6697515 0.84 ALDH1A1 (0.54) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL1312435 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6702166 0.81 MAPT (0.45) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL28728423 0.81 TSHR (0.67) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6692873 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6690776 0.81 FFAR1 (0.66) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6690856 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHSP90AA1NPSR1HTT
SCHEMBL6689389 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHSP90AA1NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738242-B2 Compound, cured product, polymer, photo-alignment film, optically anisotropic body and liquid crystal display element DIC CORPORATION (JP) 2020-08-11 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-10738242-B2 Compound, cured product, polymer, photo-alignment film, optically anisotropic body and liquid crystal display element PYM1, ZYX, CRY1 ALDH1A1 2197/4885MAPT 2680/4885HSP90AA1 2405/4885

“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.