SCHEMBL21735405

SCHEMBL21735405

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 4/20 0.33
GLA P06280 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
F2RL3 Q96RI0 2/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL22624998 0.90 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL21735409 0.89 RAB9A (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL21735404 0.88 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL21735415 0.87 RAB9A (0.36) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL21735241 0.87 RAB9A (0.36) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL21735313 0.86 RAB9A (0.36) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL21735270 0.86
SCHEMBL21735407 0.86 S1PR1 (0.38) ALDH1A1MAOBKMT2AMEN1POLB
SCHEMBL21734974 0.85 PTPN1 (0.32) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL26291462 0.84 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2MAOB

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 1051/4885ALDH1A1 1851/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 RAB9A 1916/4885NPC1 1051/4885ALDH1A1 1851/4885

“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.