SCHEMBL21735848

SCHEMBL21735848

CCCCCc1ccc(-c2cc3ccc(OC)cc3s2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HTR2A P28223 1/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
CA2 P00918 1/20 0.37
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS2 P35354 1/20 0.36
APOBEC3A P31941 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL21735847 0.89 HTR2A (0.39) PPARGPPARAHTR2ACASP3SENP8
SCHEMBL21735516 0.87 HTR2A (0.39) PPARGPPARAHTR2ACASP3SENP8
SCHEMBL23893461 0.87 PPARG (0.42) PPARGPPARACNR1CNR2GPR55
SCHEMBL20473347 0.83 CASP3 (0.49) HTR2ACASP3SENP8SENP7SENP6
SCHEMBL26291708 0.82 PPARG (0.39) PPARGPPARAMAPTGAACYP1A2
SCHEMBL7736182 0.82 CASP3 (0.48) HTR2ACASP3SENP8SENP7SENP6
SCHEMBL21735640 0.81 PPARG (0.32) PPARGPPARACASP3SENP8SENP7
SCHEMBL23893477 0.79 PPARG (0.37) PPARGPPARAMAPTGAACYP1A2
SCHEMBL26291785 0.79 PPARG (0.42) PPARGPPARACYP1A2CYP3A4CYP2C8
SCHEMBL26292240 0.78 PCSK9 (0.35) PPARGPPARACYP3A4

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 PPARG 749/4885PPARA 581/4885HTR2A 2903/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PPARG 749/4885PPARA 581/4885HTR2A 2903/4885

“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.