SCHEMBL6164746

SCHEMBL6164746

CC(C)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
DTYMK P23919 1/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
PDK1 Q15118 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL9107612 0.88 ALDH1A1 (0.63) ALDH1A1DTYMKKMT2AMEN1AKR1C3
SCHEMBL26343190 0.87 DTYMK (0.50) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL3720798 0.85 TDP1 (0.58) ALDH1A1KMT2AMEN1TDP1AKR1C3
SCHEMBL21707985 0.85 CRHBP (0.49) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL11008714 0.84 KDM4E (0.55) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL30032710 0.84 DTYMK (0.54) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL30580504 0.84 AKR1C3 (0.63) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL269614 0.84 AKR1C3 (0.63) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL26343193 0.83 DTYMK (0.47) ALDH1A1DTYMKKMT2AMEN1TDP1
SCHEMBL8135355 0.82 NPC1 (0.50) ALDH1A1DTYMKKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US disclosed
CN-1527824-A Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derilatives as IP antagonists - 2004-09-08 CN disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R ALDH1A1 1042/4885DTYMK 3246/4885KMT2A 4499/4885

“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.