SCHEMBL21735779

SCHEMBL21735779

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccccc3)sc2c1)CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CA2 P00918 4/20 0.34
MAPT P10636 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 2/20 0.33
XBP1 P17861 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 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
SCHEMBL21735314 0.90 HDAC1 (0.36) NR1H4MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21735782 0.88 NR1H4 (0.37) NR1H4ESR1ESR2CA2MAPT
SCHEMBL21735783 0.88 CA2 (0.31) ESR1ESR2CA2
SCHEMBL21735766 0.87 NR1H4 (0.40) NR1H4ESR1ESR2CA2MAPT
SCHEMBL21735324 0.84 NR1H4 (0.38) NR1H4ESR1ESR2CA2MAPT
SCHEMBL25896792 0.82 ESR1 (0.41) NR1H4ESR1ESR2CA2MAPT
SCHEMBL21735308 0.82 RAB9A (0.42) MAPTRAB9ASMN1; SMN2NPC1GAA
SCHEMBL26291666 0.82 ESR1 (0.45) NR1H4ESR1ESR2CA2MAPT
SCHEMBL21735769 0.81 NR1H4 (0.39) NR1H4ESR1ESR2CA2MAPT
SCHEMBL21735420 0.80 NR1H4 (0.40) NR1H4ESR1ESR2CA2TDP1

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 NR1H4 898/4885ESR1 1822/4885ESR2 3189/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NR1H4 898/4885ESR1 1822/4885ESR2 3189/4885

“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.