SCHEMBL18523533

SCHEMBL18523533

C=CCC=CCCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
KDM4E B2RXH2 4/20 0.57
GLA P06280 3/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAOB P27338 2/20 0.50
ABCB1 P08183 2/20 0.49
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KLK7 P49862 1/20 0.47

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
SCHEMBL18523537 1.00 NPC1 (0.57) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL18533724 0.89 NPC1 (0.62) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL20473367 0.88 NPC1 (0.60) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL18533683 0.87 NPC1 (0.58) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL23316864 0.87 NPC1 (0.59) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL20473133 0.85 SIGMAR1 (0.42) ACHEBCHE
SCHEMBL18523584 0.85 MAOB (0.48) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL18523585 0.85 MAOB (0.48) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL22569369 0.79 NPC1 (0.61) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL18583503 0.76 MAOB (0.52) NPC1RAB9AKDM4EGLAALDH1A1

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
US-11111226-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-09-07 US disclosed
EP-3337794-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-07-21 EP disclosed
US-20200262805-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
US-10723713-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2020-07-28 US disclosed
US-20180237410-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2018-08-23 US disclosed
EP-3337794-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2018-06-27 EP disclosed
WO-2017032444-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
EP-3133066-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 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 (4 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-11111226-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 NPC1 2773/4885RAB9A 2065/4885KDM4E 4586/4885
US-20200262805-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 NPC1 2773/4885RAB9A 2065/4885KDM4E 4586/4885
US-10723713-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 NPC1 2773/4885RAB9A 2065/4885KDM4E 4586/4885
US-20180237410-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 NPC1 2773/4885RAB9A 2065/4885KDM4E 4586/4885

“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.