SCHEMBL21735540

SCHEMBL21735540

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
S1PR1 P21453 2/20 0.40
F2RL3 Q96RI0 4/20 0.39
HTR2A P28223 1/20 0.39
S1PR3 Q99500 1/20 0.37
GPR55 Q9Y2T6 2/20 0.37
CRHR1 P34998 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP2C8 P10632 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL26297686 0.91 PTPN1 (0.39) PTPN1ALOX5PTGESS1PR1F2RL3
SCHEMBL21735534 0.89 PTPN1 (0.61) PTPN1ALOX5PTGESS1PR1F2RL3
SCHEMBL26292227 0.89 S1PR1 (0.41) PTPN1ALOX5PTGESS1PR1F2RL3
SCHEMBL26298304 0.88 PTPN1 (0.37) PTPN1ALOX5PTGESS1PR1F2RL3
SCHEMBL25900979 0.88 PTPN1 (0.39) PTPN1ALOX5PTGESS1PR1S1PR3
SCHEMBL23542234 0.87 NPC1 (0.46) GPR55CNR1CNR2CYP2C19
SCHEMBL23893557 0.87 PTPN1 (0.38) PTPN1ALOX5PTGESS1PR1F2RL3
SCHEMBL21735356 0.87 ALOX5 (0.49) PTPN1ALOX5PTGESCYP19A1
SCHEMBL20473343 0.87 ALOX5 (0.38) PTPN1ALOX5PTGESS1PR1S1PR3
SCHEMBL22245750 0.85 ALOX5 (0.48) PTPN1ALOX5PTGESS1PR1F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
US-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583098-B9 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-12 EP disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3583098-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-07-23 US 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 (5 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-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D PTPN1 4651/4885ALOX5 58/4885PTGES 470/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PTPN1 4838/4885ALOX5 167/4885PTGES 1411/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 PTPN1 4781/4885ALOX5 151/4885PTGES 1089/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 PTPN1 4781/4885ALOX5 151/4885PTGES 1089/4885

“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.