SCHEMBL21735534

SCHEMBL21735534

CCCCCc1ccc(-c2cc3ccc(OC)cc3o2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
ALOX5 P09917 2/20 0.52
PTGES O14684 1/20 0.52
S1PR1 P21453 2/20 0.47
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HTR2A P28223 1/20 0.42
CYP2C8 P10632 1/20 0.42
GPR55 Q9Y2T6 4/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
S1PR3 Q99500 1/20 0.40
CYP2C19 P33261 1/20 0.40
APP P05067 1/20 0.40
F2RL3 Q96RI0 2/20 0.39
GPR18 Q14330 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
SCHEMBL21735540 0.89 PTPN1 (0.49) PTPN1ALOX5PTGESS1PR1PPARG
SCHEMBL21735539 0.87 ALOX5 (0.50) PTPN1ALOX5PTGESS1PR1PPARG
SCHEMBL20473355 0.87 ALOX5 (0.51) PTPN1ALOX5PTGESS1PR1HTR2A
SCHEMBL23893419 0.87 ALOX5 (0.64) PTPN1ALOX5PTGESS1PR1PPARG
SCHEMBL22630058 0.85 ALOX5 (0.48) PTPN1ALOX5PTGESS1PR1PPARG
SCHEMBL22245750 0.84 ALOX5 (0.48) PTPN1ALOX5PTGESS1PR1HTR2A
SCHEMBL20473135 0.84 APP (0.49) PTPN1ALOX5PTGESS1PR1CYP2C8
SCHEMBL26291483 0.83 S1PR1 (0.48) PTPN1ALOX5PTGESS1PR1PPARG
SCHEMBL26297686 0.80 PTPN1 (0.39) PTPN1ALOX5PTGESS1PR1PPARG
SCHEMBL23893440 0.79 PTPN1 (0.42) PTPN1ALOX5PTGESS1PR1PPARG

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 PTPN1 4838/4885ALOX5 167/4885PTGES 1411/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PTPN1 4838/4885ALOX5 167/4885PTGES 1411/4885

“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.