SCHEMBL698328

SCHEMBL698328

COc1ccccc1C(=O)OC(C(=O)O)C(OC(=O)c1ccccc1OC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
HPGD P15428 5/20 0.51
XBP1 P17861 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CTSD P07339 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLA P06280 1/20 0.46
SLC6A3 Q01959 1/20 0.46
STAT3 P40763 1/20 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
SCHEMBL6910296 1.00 TP53 (0.55) TP53TSHRHPGDXBP1ALDH1A1
SCHEMBL6909356 1.00 TP53 (0.55) TP53TSHRHPGDXBP1ALDH1A1
SCHEMBL2722024 0.91 HPGD (0.47) TP53TSHRHPGDXBP1ALDH1A1
SCHEMBL7181727 0.91 HPGD (0.47) TP53TSHRHPGDXBP1ALDH1A1
SCHEMBL1071954 0.82 HPGD (0.58) TSHRHPGDXBP1ALDH1A1KMT2A
SCHEMBL18669051 0.81 HPGD (0.50) TP53TSHRHPGDXBP1ALDH1A1
SCHEMBL11185981 0.81 HPGD (0.56) TSHRHPGDXBP1ALDH1A1KMT2A
SCHEMBL28277788 0.81 HPGD (0.56) TSHRHPGDXBP1ALDH1A1KMT2A
SCHEMBL22621470 0.80 HPGD (0.57) TP53TSHRHPGDXBP1ALDH1A1
SCHEMBL28858587 0.79 HPGD (0.55) TSHRHPGDXBP1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
US-7358384-B2 Processes for the recovery of optically active diacyltartaric acids TORAY FINE CHEMICALS CO., LTD. (JP) 2008-04-15 US disclosed
US-20060058546-A1 Processes for the recovery of optically active diacyltartatic acids TORAY FINE CHEMICALS CO., LTD. (JP) 2006-03-16 US disclosed
EP-1586551-A1 PROCESSES FOR THE RECOVERY OF OPTICALLY ACTIVE DIACYLTARTATIC ACIDS Toray Fine Chemicals Co., Ltd. (JP) 2005-10-19 EP disclosed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US 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 (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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 TP53 1309/4885TSHR 1512/4885HPGD 2818/4885

“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.