SCHEMBL698329

SCHEMBL698329

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
CTSD P07339 1/20 0.51
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
STAT3 P40763 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6933842 0.86 NPC1 (0.49) NPC1HTTRAB9ACTSDHPGD
SCHEMBL27313373 0.84 NPC1 (0.50) NPC1HTTRAB9ACTSDHPGD
SCHEMBL9152770 0.82 NPC1 (0.49) NPC1HTTRAB9ACTSDHPGD
SCHEMBL855233 0.81 MAPT (0.57) NPC1HTTRAB9ACTSDHPGD
SCHEMBL27758670 0.79 CTSD (0.53) NPC1HTTRAB9ACTSDHPGD
SCHEMBL3990682 0.79 SMN1; SMN2 (0.53) NPC1HTTRAB9ACTSDSTAT3
SCHEMBL2722029 0.79 HPGD (0.43) NPC1HTTRAB9ACTSDHPGD
SCHEMBL7181728 0.79 HPGD (0.43) NPC1HTTRAB9ACTSDHPGD
SCHEMBL3527 0.78 HTT (0.78) NPC1HTTRAB9ACTSDHPGD
SCHEMBL29365231 0.78 HTT (0.78) NPC1HTTRAB9ACTSDHPGD

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-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

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 NPC1 3157/4885HTT 209/4885RAB9A 857/4885

“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.