SCHEMBL21735539

SCHEMBL21735539

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PTPN1 P18031 3/20 0.46
S1PR1 P21453 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PTGES O14684 1/20 0.41
CYP2C8 P10632 2/20 0.39
GPR55 Q9Y2T6 4/20 0.38
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
GPR18 Q14330 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21735534 0.87 PTPN1 (0.61) ALOX5PTPN1S1PR1PPARGPPARA
SCHEMBL20473343 0.87 ALOX5 (0.38) ALOX5PTPN1S1PR1PPARGPPARA
SCHEMBL23893419 0.86 ALOX5 (0.64) ALOX5PTPN1S1PR1PPARGPPARA
SCHEMBL22630058 0.84 ALOX5 (0.48) ALOX5PTPN1S1PR1PPARGPPARA
SCHEMBL20473353 0.84 ALOX15 (0.36) ALOX5S1PR1PPARAPTGES
SCHEMBL23893411 0.81 HSD11B1 (0.34) ALOX5S1PR1PTGES
SCHEMBL22245914 0.79 S1PR1 (0.42) S1PR1ESR1CYP3A4
SCHEMBL21735207 0.78 ALOX5 (0.45) ALOX5PTPN1S1PR1PPARGPPARA
SCHEMBL26291537 0.78 ALOX5 (0.47) ALOX5PTPN1S1PR1PPARGPPARA
SCHEMBL21735540 0.78 PTPN1 (0.49) ALOX5PTPN1S1PR1PPARGPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
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 ALOX5 167/4885PTPN1 4838/4885S1PR1 3951/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALOX5 167/4885PTPN1 4838/4885S1PR1 3951/4885

“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.