SCHEMBL2806501

SCHEMBL2806501

COC(=O)c1cccc(C(=O)OC)c1NC(=O)Oc1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
CYP3A4 P08684 3/20 0.58
MAPK1 P28482 2/20 0.58
FAAH O00519 1/20 0.58
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.51
KDM4E B2RXH2 6/20 0.51
GAA P10253 4/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 4/20 0.50
CYP1A2 P05177 3/20 0.49
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 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
SCHEMBL4114461 0.77 ALDH1A1 (0.89) ALDH1A1CYP3A4MAPK1FAAHHSD17B10
SCHEMBL14543272 0.76 ALDH1A1 (0.73) ALDH1A1CYP3A4MAPK1FAAHLMNA
SCHEMBL2814224 0.75 ALDH1A1 (0.59) ALDH1A1HSD17B10LMNAKDM4EGAA
Metolcarb SCHEMBL118244 0.75 LMNA (0.65) ALDH1A1CYP3A4MAPK1FAAHHSD17B10
Metolcarb SCHEMBL29413999 0.75 LMNA (0.65) ALDH1A1CYP3A4MAPK1FAAHHSD17B10
Phenmedipham SCHEMBL8489570 0.74 CYP3A4 (1.00) ALDH1A1CYP3A4MAPK1FAAHHSD17B10
Phenmedipham SCHEMBL29516822 0.74 CYP3A4 (1.00) ALDH1A1CYP3A4MAPK1FAAHHSD17B10
SCHEMBL29250428 0.74 GAA (0.58) ALDH1A1CYP3A4MAPK1LMNAKDM4E
Phenmedipham SCHEMBL54580 0.74 CYP3A4 (1.00) ALDH1A1CYP3A4MAPK1FAAHHSD17B10
Metolcarb SCHEMBL7079404 0.73 LMNA (0.62) ALDH1A1CYP3A4MAPK1FAAHHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B ALDH1A1 401/4885CYP3A4 1909/4885MAPK1 355/4885

“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.