SCHEMBL4949476

SCHEMBL4949476

COc1cccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2cccc(OC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
PARP1 P09874 1/20 0.59
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
MAOB P27338 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
CYP2C8 P10632 1/20 0.50
NLRP3 Q96P20 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50

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
SCHEMBL7844611 0.82 CES2 (0.67) CES2CES1PARP1NPC1RAB9A
SCHEMBL30214744 0.81 CES1 (0.65) CES2CES1PARP1NPC1RAB9A
SCHEMBL2500212 0.81 CES1 (0.65) CES2CES1PARP1NPC1RAB9A
SCHEMBL6827745 0.80 CES2 (0.74) CES2CES1PARP1NPC1RAB9A
SCHEMBL63427 0.80 CES2 (0.74) CES2CES1PARP1NPC1RAB9A
SCHEMBL29351426 0.80 CES2 (0.74) CES2CES1PARP1NPC1RAB9A
SCHEMBL21509990 0.79 PARP1 (0.64) CES2CES1PARP1NPC1RAB9A
SCHEMBL1009355 0.78 CA1 (0.61) CES2CES1PARP1RAB9ANPSR1
SCHEMBL3823617 0.78 CA1 (0.61) CES2CES1PARP1RAB9ANPSR1
SCHEMBL10403563 0.78 CES2 (0.71) CES2CES1PARP1NPC1RAB9A

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 9 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-4613747-A1 METHOD FOR PREPARING FINERENONE BY MEANS OF RESOLVING RACEMATE WITH DIASTEREOMERIC TARTARIC ESTER Nanjing Vcare Pharmatech Co., Ltd. (CN) 2025-09-10 EP disclosed
WO-2024094181-A1 METHOD FOR PREPARING FINERENONE BY MEANS OF RESOLVING RACEMATE WITH DIASTEREOMERIC TARTARIC ESTER 南京威凯尔生物医药科技有限公司 2024-05-10 WO 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

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 CES2 1406/4885CES1 1028/4885PARP1 3627/4885

“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.