SCHEMBL21735295

SCHEMBL21735295

C=CC(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4)sc3c2)C1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
TNFRSF1A P19438 1/20 0.33
HDAC6 Q9UBN7 3/20 0.32
ERN1 O75460 2/20 0.32
APP P05067 1/20 0.32
HDAC2 Q92769 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR4 P22455 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL21734992 0.90 HDAC1 (0.37) HDAC6HDAC2ALDH1A1MAPT
SCHEMBL21735310 0.86 ESR1 (0.37) ESR1ESR2HSD17B1HSD17B2NR1H4
SCHEMBL21735317 0.86 FGFR1 (0.33) ESR1ESR2FGFR1FGFR4
SCHEMBL21734990 0.80 ESR1 (0.35) ESR1ESR2NR1H4TNFRSF1AHDAC6
SCHEMBL21735366 0.80 HDAC6 (0.39) HDAC6HDAC2NPC1ALDH1A1HPGD
SCHEMBL21734993 0.80 FGFR1 (0.33) FGFR1FGFR4
SCHEMBL22628929 0.79 NR1H4 (0.34) ESR1ESR2NR1H4
SCHEMBL22624932 0.77 NPC1 (0.49) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21734989 0.77 HDAC1 (0.36) NR1H4HDAC6HDAC2NPC1ALDH1A1
SCHEMBL21735450 0.75 ESR1 (0.39) ESR1ESR2HSD17B1HSD17B2NR1H4

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 ESR1 1822/4885ESR2 3189/4885HSD17B1 1631/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ESR1 1822/4885ESR2 3189/4885HSD17B1 1631/4885

“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.