SCHEMBL4391440

SCHEMBL4391440

COC(=O)/C(=C\c1cccc(N)c1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
AKR1B1 P15121 1/20 0.41
CYP19A1 P11511 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLO1 Q04760 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4391436 1.00 RECQL (0.49) RECQLNPSR1AKR1B1CYP19A1MAOA
SCHEMBL4391442 1.00 RECQL (0.49) RECQLNPSR1AKR1B1CYP19A1MAOA
SCHEMBL9046968 0.84 RECQL (0.50) RECQLMAOAMAOBALDH1A1MAPT
SCHEMBL9046985 0.84 RECQL (0.50) RECQLMAOAMAOBALDH1A1MAPT
SCHEMBL9046977 0.84 RECQL (0.50) RECQLMAOAMAOBALDH1A1MAPT
SCHEMBL1915838 0.83 RECQL (0.69) RECQLCYP3A4MAPTMEN1KMT2A
SCHEMBL1915834 0.83 RECQL (0.69) RECQLCYP3A4MAPTMEN1KMT2A
SCHEMBL1915837 0.83 RECQL (0.69) RECQLCYP3A4MAPTMEN1KMT2A
SCHEMBL9023565 0.83 ALDH1A1 (0.55) RECQLAKR1B1MAOBALDH1A1MAPT
Benzene SCHEMBL27424700 0.83 ALDH1A1 (0.55) RECQLAKR1B1MAOBALDH1A1MAPT

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-20090306201-A1 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-12-10 US disclosed
WO-2007149782-A2 SELECTIVE INHIBITORS FOR TRANSFERASES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2007-12-27 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-20090306201-A1 SELECTIVE INHIBITORS FOR TRANSFERASES TYMP, PCNA, TK1 RECQL 506/4885NPSR1 4566/4885AKR1B1 432/4885

“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.