SCHEMBL18535458

SCHEMBL18535458

CCCCOc1ccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.71
RAB9A P51151 7/20 0.71
KDM4E B2RXH2 4/20 0.71
GLA P06280 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
GAPDH P04406 4/20 0.63
TP53 P04637 1/20 0.58
MAOB P27338 3/20 0.57
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
POLB P06746 2/20 0.53
MAOA P21397 1/20 0.53
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL12386519 0.89 NPC1 (0.56) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL18523598 0.88 NPC1 (0.67) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL15286102 0.88 NPC1 (0.85) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL18535513 0.87 MAOB (0.61) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL12386527 0.87 MAOB (0.54) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL23316813 0.86 NPC1 (0.74) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL18535597 0.86 MAOB (0.62) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL24046282 0.86 MAOB (0.69) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL2167401 0.85 MIF (0.71) NPC1RAB9AKDM4EGLAMEN1
SCHEMBL16520513 0.84 NPC1 (0.79) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702396-B2 Hydrophobic compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-07-18 US disclosed
US-11702396-B2 Hydrophobic compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-07-18 US disclosed
US-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
US-11078177-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-08-03 US disclosed
US-11001576-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3583102-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3583101-B1 BIS-COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
US-10457658-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2019-10-29 US disclosed
WO-2017032442-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
EP-3133065-A1 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 (6 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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A NPC1 2482/4885RAB9A 930/4885KDM4E 4039/4885
US-11702396-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NPC1 1051/4885RAB9A 1916/4885KDM4E 4579/4885
US-10457658-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A NPC1 2482/4885RAB9A 930/4885KDM4E 4039/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D NPC1 2727/4885RAB9A 1119/4885KDM4E 3992/4885
US-11078177-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A NPC1 2482/4885RAB9A 930/4885KDM4E 4039/4885
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.