SCHEMBL22301338

SCHEMBL22301338

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.51
TP53 P04637 1/20 0.49
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GRM8 O00222 4/20 0.47
GRM4 Q14833 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM6 O15303 3/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46

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
SCHEMBL8582041 0.80 AKR1C3 (0.67) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL307016 0.80 AKR1C3 (0.67) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL3992888 0.80 AKR1C3 (0.67) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL5861774 0.79 ACP3 (0.58) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL2458450 0.78 HTT (0.53) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL2458448 0.78 HTT (0.53) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL1067934 0.78 ACP3 (0.50) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL742437 0.78 ACP3 (0.56) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL5157317 0.78 ACP3 (0.56) ACP3TP53HTTL3MBTL1SMN1; SMN2
SCHEMBL31652701 0.78 ACP3 (0.56) ACP3TP53HTTL3MBTL1SMN1; 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 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 ACP3 3995/4885TP53 4787/4885HTT 4326/4885

“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.