SCHEMBL6700957

SCHEMBL6700957

COc1ccc(OC(=O)C(C)=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
TPMT P51580 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL5575505 0.86 SLC22A6 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10757240 0.86 TUBB4A (0.50) ALDH1A1GAATDP1CYP1A2CYP3A4
SCHEMBL153056 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28103050 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL18379291 0.82 ELANE (0.49) CA12CA1CA2CA7CA9
SCHEMBL27655956 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL21101774 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2729632 0.79 TSHR (0.64) CA12CA1CA2CA7CA9
SCHEMBL28830235 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL9423944 0.79 CA12 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
US-20040102649-A1 Water soluble chiral diphoshpines RHODIA CHIMIE (FR) 2004-05-27 US disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0206460-B1 L-PHENYLALANINE DEHYDROGENASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1993-08-11 EP disclosed
EP-0513872-A1 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-11-19 EP disclosed
EP-0295890-B1 PROCESS OF PREPARING OPTICALLY ACTIVE ALCOHOL Takasago International Corporation (JP) 1992-09-16 EP disclosed
US-5066815-A Asymmetric hydrogenation of ketone, ruthenium-phosphine catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 1991-11-19 US disclosed
US-4849345-A L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-07-18 US disclosed
EP-0206460-A2 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 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 (2 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-20040102649-A1 Water soluble chiral diphoshpines ADRA1B, ADRB1, ADRA1A CA12 3413/4885CA1 2200/4885CA2 1324/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR CA12 4500/4885CA1 3776/4885CA2 3567/4885

“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.