SCHEMBL21735773

SCHEMBL21735773

C=C(C)C(=O)OCC(COc1ccc2cc(-c3ccc(CC)cc3)sc2c1)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NR1H4 Q96RI1 2/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CA2 P00918 3/20 0.33
STK17B O94768 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ACACA Q13085 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 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
SCHEMBL21735769 0.90 NR1H4 (0.39) ESR1ESR2NR1H4HDAC6CA2
SCHEMBL21735422 0.88 ESR1 (0.36) ESR1ESR2NR1H4HDAC6CA2
SCHEMBL21734977 0.85 HDAC3 (0.36) NR1H4HDAC6HDAC3HDAC1HDAC2
SCHEMBL21735770 0.83 PLA2G4A (0.31)
SCHEMBL21734980 0.83 S1PR1 (0.31) CA2
SCHEMBL26291753 0.82 ESR1 (0.39) ESR1ESR2NR1H4HDAC6CA2
SCHEMBL21735776 0.81 S1PR1 (0.32)
SCHEMBL21735457 0.81 POLB (0.39) ESR1ESR2NR1H4HDAC6CA2
SCHEMBL22628862 0.81 ESR1 (0.36) ESR1ESR2NR1H4HDAC6CA2
SCHEMBL21735327 0.81 ESR1 (0.36) ESR1ESR2NR1H4HDAC6CA2

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

“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.