SCHEMBL31723403

SCHEMBL31723403

CC(C)c1cccc(C(C)C)c1Nc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
CXCR2 P25025 1/20 0.37
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CXCL8 P10145 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 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
SCHEMBL27837254 0.81 TDP1 (0.44) GAATP53HTTTDP1ALDH1A1
SCHEMBL31723959 0.81 LPAR1 (0.34) HTTTDP1ALDH1A1LPAR1KMT2A
SCHEMBL4131377 0.78 CXCR2 (0.45) CXCR2ALDH1A1LPAR1KMT2AMAPT
SCHEMBL2422660 0.78 MAPK1 (0.54) GAAHTTTDP1ALDH1A1KMT2A
SCHEMBL29653879 0.78 MAPK1 (0.54) GAAHTTTDP1ALDH1A1KMT2A
SCHEMBL1496397 0.77 TP53 (0.42) GAATP53CXCR2TDP1ALDH1A1
SCHEMBL7881974 0.75 ALDH1A1 (0.44) GAATP53CXCR2HTTTDP1
SCHEMBL31577354 0.75 ALDH1A1 (0.44) GAATP53CXCR2HTTTDP1
SCHEMBL31723401 0.74 EGFR (0.38) LPAR1KMT2ASMN1; SMN2LMNANLRP3
SCHEMBL16352522 0.74 TDP1 (0.57) GAACXCR2HTTTDP1ALDH1A1

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-20250351719-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-11-13 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-20250351719-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, PDCD2L GAA 3347/4885TP53 1632/4885CXCR2 3278/4885

“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.