SCHEMBL4331272

SCHEMBL4331272

Cc1ccccc1C(=O)OC(=O)[C@@H](O)[C@H](O)C(=O)OC(=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
TSHR P16473 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PLK1 P53350 1/20 0.41
PLK2 Q9NYY3 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL30234873 1.00 ADRB2 (0.50) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL3063193 1.00 ADRB2 (0.50) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL697895 1.00 ADRB2 (0.50) ADRB2ADRB1ADRB3TSHRKMT2A
Water SCHEMBL9888404 0.98 ADRB2 (0.49) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL7761635 0.93 ADRB2 (0.46) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL22639009 0.86 KMT2A (0.47) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL777261 0.84 NPC1 (0.53) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL29436920 0.84 NPC1 (0.53) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL8193958 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3TSHRKMT2A
SCHEMBL10004127 0.80 NPC1 (0.50) ADRB2ADRB1ADRB3TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710437-B1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER OF LOW OPTICAL PURITY SIEGFRIED AG (CH) 2022-12-14 EP disclosed
US-11279685-B2 Enantiomeric separation of racemic nicotine by addition of an O,O″-disubstituted tartaric acid enantiomer SIEGFRIED AG (CH) 2022-03-22 US disclosed
US-20200331883-A1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER SIEGFRIED AG (CH) 2020-10-22 US disclosed
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
EP-1548010-A1 PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2005-06-29 EP disclosed
US-6320069-B1 REACTING RACEMIC ALCOHOL WITH OPTICALLY ACTIVE AMINO ACID TO PRODUCE AMINO ACID ESTER, PERFORMING DIASTEREOMER RESOLUTION THEREON BY PROCESS SELECTED FROM CRYSTALLIZATION SEPARATION, COLUMN SEPARATION AND SIMULATED MOVING BED SEPARATION TORAY INDUSTRIES, INC. (JP) 2001-11-20 US disclosed
EP-0924180-A1 PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE KETONES TORAY INDUSTRIES, INC. (JP) 1999-06-23 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 (3 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-20200331883-A1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER CHRNB1, CHRNA1, CHRM1 ADRB2 108/4885ADRB1 28/4885ADRB3 160/4885
US-11279685-B2 Enantiomeric separation of racemic nicotine by addition of an O,O″-disubstituted tartaric acid enantiomer CHRNB1, CHRNA1, CHRM1 ADRB2 101/4885ADRB1 27/4885ADRB3 153/4885
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative DHPS, AQP4, OGFOD1 ADRB2 3928/4885ADRB1 4253/4885ADRB3 4248/4885

“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.