SCHEMBL21735208

SCHEMBL21735208

C=CC(=O)OCC(COc1ccc2cc(-c3ccccc3CC)oc2c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
MAOB P27338 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
GAA P10253 3/20 0.33
GLA P06280 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL22624936 0.90 RAB9A (0.43) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL22630018 0.89 F2RL3 (0.36) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL21735749 0.88 POLB (0.34) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL21735215 0.88 RAB9A (0.36) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL21735213 0.87 NPC1 (0.39) RAB9AALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL21735209 0.86 THRB (0.42) MAOBS1PR1S1PR3MAOA
SCHEMBL26291461 0.85 RAB9A (0.40) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL21735230 0.85 ALDH1A1 (0.32) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL21735097 0.83 RAB9A (0.35) RAB9AALDH1A1SMN1; SMN2NPC1MAOB
SCHEMBL22593838 0.83 RAB9A (0.33) RAB9AALDH1A1SMN1; SMN2NPC1MAOB

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 1916/4885ALDH1A1 1851/4885SMN1; SMN2 4872/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 RAB9A 1916/4885ALDH1A1 1851/4885SMN1; SMN2 4872/4885

“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.