SCHEMBL12877592

SCHEMBL12877592

COC(=O)Cc1cc(N)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
GAA P10253 4/20 0.57
GFER P55789 1/20 0.57
EGFR P00533 4/20 0.55
PRKCI P41743 1/20 0.50
ACHE P22303 3/20 0.49
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
ALOX5 P09917 2/20 0.45
HSP90AB1 P08238 1/20 0.44
CYP2C9 P11712 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSPD1 P10809 2/20 0.42
THRB P10828 2/20 0.42
ALOX15 P16050 2/20 0.42
CASP1 P29466 2/20 0.42
CYP2C19 P33261 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
SCHEMBL8144382 0.86 ALDH1A1 (0.47) ALDH1A1GAAGFEREGFRPRKCI
SCHEMBL14336221 0.84 ALDH1A1 (0.46) ALDH1A1GAAGFEREGFRKDM4E
SCHEMBL2194027 0.83 EGFR (0.56) ALDH1A1EGFRPRKCIACHEHPGD
SCHEMBL502012 0.83 ALDH1A1 (0.45) ALDH1A1GAAGFEREGFRKDM4E
SCHEMBL13025363 0.83 ALDH1A1 (0.45) ALDH1A1GAAGFEREGFRPRKCI
SCHEMBL3545527 0.82 EGFR (0.75) ALDH1A1GAAGFEREGFRKDM4E
SCHEMBL30605142 0.82 EGFR (0.75) ALDH1A1GAAGFEREGFRKDM4E
SCHEMBL23713473 0.81 GAA (0.44) ALDH1A1GAAGFEREGFRKDM4E
SCHEMBL9159002 0.81 HSD17B10 (0.49) ALDH1A1GAAGFERKDM4EHSD17B10
SCHEMBL8145260 0.81 ALDH1A1 (0.68) ALDH1A1GAAGFEREGFRKDM4E

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-20110028757-A1 MANUFACTURING METHOD OF 2-HYDROXY-5-PHENYLALKYLAMINOBENZOIC ACID DERIVATIVES AND THEIR SALTS NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2011-02-03 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-20110028757-A1 MANUFACTURING METHOD OF 2-HYDROXY-5-PHENYLALKYLAMINOBENZOIC ACID DERIVATIVES AND THEIR SALTS PAH, HACL2, HAAO ALDH1A1 117/4885GAA 367/4885GFER 2070/4885

“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.