SCHEMBL21735322

SCHEMBL21735322

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAPT P10636 3/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC16A3 O15427 1/20 0.35
KLK7 P49862 1/20 0.35

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
SCHEMBL22624925 0.90 NPC1 (0.55) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735362 0.89 APP (0.37) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735312 0.88 F2RL3 (0.34) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22630038 0.88 RAB9A (0.41) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735226 0.87 RAB9A (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735308 0.87 RAB9A (0.42) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735096 0.85 RAB9A (0.40) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735311 0.84 HDAC6 (0.36) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21735397 0.83 RAB9A (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22625380 0.83 RAB9A (0.42) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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.