SCHEMBL21735355

SCHEMBL21735355

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4CC)oc3c2)C1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
HSD11B1 P28845 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL22625387 0.90 RAB9A (0.41) NPC1RAB9AMAOBMAOAKDM4E
SCHEMBL21735354 0.88 MAOB (0.33) NPC1RAB9AMAOBMAOAKDM4E
SCHEMBL22628852 0.88 MAOB (0.35) NPC1RAB9AMAOBMAOAKDM4E
SCHEMBL21735352 0.88 HDAC6 (0.38) NPC1RAB9AMAOBKDM4EMEN1
SCHEMBL21735374 0.86 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL21734938 0.85 MAOB (0.33) MAOBMAOAS1PR1S1PR3HSD11B1
SCHEMBL21735048 0.83 MAOA (0.32) NPC1RAB9AMAOBMAOAKDM4E
SCHEMBL22628841 0.81 CYP11B1 (0.36) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL22629000 0.81
SCHEMBL22624931 0.81 NPC1 (0.53) NPC1RAB9AMAOBKDM4EMEN1

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-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US 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 1916/4885MAOB 3207/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NPC1 1051/4885RAB9A 1916/4885MAOB 3207/4885

“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.