SCHEMBL21735560

SCHEMBL21735560

C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SLC16A3 O15427 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
MAPT P10636 1/20 0.37
F2RL3 Q96RI0 2/20 0.37
CA4 P22748 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL21735390 0.93 THRB (0.39) THRBS1PR1S1PR3NPC1RAB9A
SCHEMBL22628754 0.89 SIGMAR1 (0.38) THRBS1PR1S1PR3NPC1RAB9A
SCHEMBL22625065 0.89 NPC1 (0.54) NPC1RAB9ASLC16A3KDM4EALDH1A1
SCHEMBL21735413 0.89 THRB (0.41) THRBS1PR1S1PR3NPC1RAB9A
SCHEMBL22628723 0.87 RAB9A (0.36) THRBS1PR1S1PR3NPC1RAB9A
SCHEMBL21734947 0.87 THRB (0.44) THRBS1PR1S1PR3NPC1RAB9A
SCHEMBL22629896 0.86 HDAC6 (0.37) THRBHDAC6
SCHEMBL21734960 0.86 NPC1 (0.42) S1PR1S1PR3NPC1RAB9ASLC16A3
SCHEMBL20473379 0.85 THRB (0.49) THRBS1PR1S1PR3SIGMAR1
SCHEMBL21735096 0.84 RAB9A (0.40) THRBS1PR1S1PR3NPC1RAB9A

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 THRB 3289/4885S1PR1 3951/4885S1PR3 2314/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885S1PR1 3951/4885S1PR3 2314/4885

“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.