SCHEMBL6499526

SCHEMBL6499526

O=COCC(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
PARP1 P09874 1/20 0.49
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
IDO1 P14902 2/20 0.41
CXCR3 P49682 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL12647390 0.80 MEN1 (0.51) PARP1HPGDMAPTALDH1A1POLB
SCHEMBL3869644 0.79 ERCC5 (0.56) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL11074838 0.79 GSK3B (0.53) ERCC5FEN1HPGDMAPTALDH1A1
SCHEMBL1283 0.78 TDP1 (0.52) ERCC5FEN1HPGDMAPTALDH1A1
SCHEMBL2554619 0.77 ERCC5 (0.57) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL11753942 0.77 ERCC5 (0.53) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL24239347 0.76 CES2 (0.56) HPGDMAPTALDH1A1POLB
SCHEMBL220453 0.76 ERCC5 (0.49) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL1711979 0.76 ERCC5 (0.49) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL11791699 0.76 ERCC5 (0.76) ERCC5FEN1PARP1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK ERCC5 4474/4885FEN1 4530/4885PARP1 2204/4885

“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.