SCHEMBL21761543

SCHEMBL21761543

CC(=O)Oc1ccc2cc(-c3cccc(C)c3)c(=O)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.78
▸ RAB9A P51151 4/20 0.78
▸ KDM4E B2RXH2 4/20 0.78
▸ GLA P06280 4/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ MAOB P27338 7/20 0.71
▸ GAPDH P04406 5/20 0.69
▸ GAA P10253 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CASP1 P29466 2/20 0.58
▸ CASP7 P55210 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ MAOA P21397 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL14880118 0.88 NPC1 (1.00) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL16520513 0.86 NPC1 (0.79) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL31566290 0.85 NPC1 (0.81) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL3842740 0.85 MAOB (0.81) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL15286102 0.85 NPC1 (0.85) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL20288536 0.81 NPC1 (0.79) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL28585595 0.81 NPC1 (0.73) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL18523591 0.81 NPC1 (0.77) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL18259010 0.81 NPC1 (0.77) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL8115599 0.81 NPC1 (0.77) NPC1RAB9AKDM4EGLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001576-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-11 — — US disclosed
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-27 — — 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-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D NPC1 2727/4885RAB9A 1119/4885KDM4E 3992/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D NPC1 2727/4885RAB9A 1119/4885KDM4E 3992/4885

“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.

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