SCHEMBL3720784

SCHEMBL3720784

COC(=O)c1cc(OC(C)C)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 6/20 0.57
GAA P10253 4/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
CFTR P13569 2/20 0.51
GLA P06280 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 1/20 0.46
PARP10 Q53GL7 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ULK1 O75385 1/20 0.43

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
SCHEMBL267611 0.89 KDM4E (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL21707922 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL13343583 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL267307 0.84 KDM4E (0.62) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL26800292 0.83 KDM4E (0.57) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL3726990 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTGLAPARP10
Hydrochloric Acid SCHEMBL5100210 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1795616 0.81 KDM4E (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL28365855 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1316757 0.81 CA12 (0.61) ALDH1A1KDM4EGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
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
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

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 1042/4885KDM4E 4590/4885GAA 1533/4885

“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.