SCHEMBL21735571

SCHEMBL21735571

CCc1ccccc1-c1cc2ccc(OC)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
TEK Q02763 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL21735634 0.83 CA2 (0.43) CA2MAPTNPC1RAB9AMAPK1
SCHEMBL21184952 0.81 ESR1 (0.48) CA2TEKCYP1A2CYP2A6MAPT
SCHEMBL7108637 0.81 APP (0.53) CA2CYP1A2CYP2A6MAPTNPC1
SCHEMBL21735518 0.80 ESR1 (0.60) CA2ESR1ESR2
SCHEMBL22628825 0.79 PDK2 (0.34) CYP1A2MAPTHPGDMAPK1CYP2C19
SCHEMBL21735516 0.78 HTR2A (0.39) CA2CYP1A2MAPTNPC1HPGD
SCHEMBL23893458 0.78 ESR1 (0.34) CA2ESR1ESR2
SCHEMBL26291744 0.77 CA2 (0.36) CA2MAPTNPC1RAB9ATP53
SCHEMBL6832572 0.76 ESR1 (0.58) CA2CYP1A2CYP2A6MAPTNPC1
SCHEMBL21735522 0.75 PDK2 (0.40) ESR1ESR2

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 CA2 3899/4885TEK 4302/4885CYP1A2 3512/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA2 3899/4885TEK 4302/4885CYP1A2 3512/4885

“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.