SCHEMBL21735518

SCHEMBL21735518

CCc1ccccc1-c1cc2ccc(O)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.60
ESR2 Q92731 10/20 0.60
TNIK Q9UKE5 1/20 0.46
APP P05067 1/20 0.43
CA2 P00918 1/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 1/20 0.39
MAOB P27338 1/20 0.38
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL21761490 0.83 ESR2 (0.62) ESR1ESR2TNIKAPPCA2
SCHEMBL21735571 0.80 CA2 (0.46) ESR1ESR2CA2
SCHEMBL25897055 0.80 ESR1 (0.54) ESR1ESR2TNIKAPPCA2
SCHEMBL21735595 0.77 ESR1 (0.51) ESR1ESR2
SCHEMBL14870787 0.74 NPC1 (0.39)
SCHEMBL25897028 0.73 ESR2 (0.57) ESR1ESR2TNIKAPPCA2
SCHEMBL3144306 0.73 ESR1 (0.73) ESR1ESR2APPCA2HSD17B1
SCHEMBL7643423 0.73 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL10672625 0.72 ANPEP (0.50) ESR1ESR2HSD17B1MAOBANPEP
SCHEMBL10011887 0.71 HSP90AA1 (0.50) ANPEPDPP4

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 3189/4885TNIK 2992/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ESR1 1822/4885ESR2 3189/4885TNIK 2992/4885

“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.