SCHEMBL21735211

SCHEMBL21735211

C=C(C)C(=O)OCC(COc1ccc2cc(-c3ccccc3)oc2c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KLK7 P49862 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAPT P10636 1/20 0.37
F2RL3 Q96RI0 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL21735227 0.89 APP (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22625372 0.89 NPC1 (0.59) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL21735215 0.88 RAB9A (0.36) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL21734926 0.87 RAB9A (0.42) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL20473147 0.86 NPC1 (0.46) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL21735213 0.85 NPC1 (0.39) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL22245835 0.84 NPC1 (0.44) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL21735210 0.84 HDAC6 (0.37) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL26291463 0.83 RAB9A (0.51) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL21735556 0.81 NPC1 (0.43) RAB9ANPC1KDM4EALDH1A1GLA

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 RAB9A 1916/4885NPC1 1051/4885KDM4E 4579/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 RAB9A 1916/4885NPC1 1051/4885KDM4E 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.