SCHEMBL21735356

SCHEMBL21735356

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
PTPN1 P18031 5/20 0.45
PTGES O14684 1/20 0.41
ESR1 P03372 3/20 0.40
CYP19A1 P11511 1/20 0.40
CALCRL Q16602 1/20 0.39
SHBG P04278 2/20 0.38
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 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
SCHEMBL25896238 0.89 ALOX5 (0.59) ALOX5PTPN1PTGESESR1CYP19A1
SCHEMBL20473343 0.88 ALOX5 (0.38) ALOX5PTPN1PTGESALDH1A1ALOX15
SCHEMBL23893419 0.87 ALOX5 (0.64) ALOX5PTPN1PTGESESR1CYP19A1
SCHEMBL18583398 0.87 MIF (0.49) PTGS1KDM4EALDH1A1AKR1B10AKR1B1
SCHEMBL21735540 0.87 PTPN1 (0.49) ALOX5PTPN1PTGESCYP19A1
SCHEMBL26292227 0.86 S1PR1 (0.41) ALOX5PTPN1PTGESALDH1A1LMNA
SCHEMBL25896039 0.86 ALOX5 (0.42) ALOX5PTGESALDH1A1HTR2CALOX15
SCHEMBL22629183 0.86 ALOX5 (0.37) ALOX5PTPN1PTGESALDH1A1ALOX15
SCHEMBL26297686 0.86 PTPN1 (0.39) ALOX5PTPN1PTGES
SCHEMBL26291486 0.85 ALOX5 (0.37) ALOX5PTPN1PTGES

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 ALOX5 167/4885PTPN1 4838/4885PTGES 1411/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ALOX5 58/4885PTPN1 4651/4885PTGES 470/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALOX5 167/4885PTPN1 4838/4885PTGES 1411/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 ALOX5 151/4885PTPN1 4781/4885PTGES 1089/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 ALOX5 151/4885PTPN1 4781/4885PTGES 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.