SCHEMBL21735741

SCHEMBL21735741

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
APP P05067 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL21735101 0.91 NPC1 (0.35) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL21735739 0.90 KDM4E (0.34) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL21734957 0.89 S1PR1 (0.37) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL21734974 0.88 PTPN1 (0.32) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL21734969 0.88
SCHEMBL21735415 0.85 RAB9A (0.36) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL26291616 0.85 RAB9A (0.37) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL21735329 0.83 POLB (0.32) POLBAPEX1HTTTDP1
SCHEMBL21735414 0.82 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL21734927 0.82 PTPN1 (0.33) NPC1RAB9AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (2 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 NPC1 1051/4885RAB9A 1916/4885KDM4E 4579/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NPC1 1051/4885RAB9A 1916/4885KDM4E 4579/4885

“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.