SCHEMBL3144306

SCHEMBL3144306

CCc1ccc(-c2cc3ccc(O)cc3s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.73
ESR2 Q92731 11/20 0.73
APP P05067 1/20 0.53
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 1/20 0.44
IKBKB O14920 1/20 0.41
GLA P06280 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL3138868 0.88 ESR1 (0.69) ESR1ESR2APPHSD17B1HSD17B2
Raloxifene Core SCHEMBL2567321 0.85 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
Raloxifene Core SCHEMBL29941293 0.85 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL21735080 0.84 ESR1 (0.63) ESR1ESR2APPALDH1A1MAPT
SCHEMBL3627201 0.83 ESR1 (0.46) ESR1ESR2APPIKBKBHDAC6
SCHEMBL3139631 0.82 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL1179605 0.79 ESR1 (0.62) ESR1ESR2APPCA2HDAC3
SCHEMBL22245878 0.79 ESR1 (0.56) ESR1ESR2APPALDH1A1MAPT
SCHEMBL20473171 0.79 MAPT (0.46) ESR1ESR2APPGLACA2
SCHEMBL13071222 0.79 ESR1 (0.80) ESR1ESR2APPHSD17B1HSD17B2

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 17 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
EP-2137193-B1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2017-08-09 EP disclosed
US-8642603-B2 Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2014-02-04 US disclosed
US-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO 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 (6 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 ESR1 1822/4885ESR2 3189/4885APP 450/4885
US-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C ESR1 699/4885ESR2 491/4885APP 662/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ESR1 1260/4885ESR2 3107/4885APP 899/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ESR1 1822/4885ESR2 3189/4885APP 450/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 ESR1 2055/4885ESR2 3888/4885APP 1043/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 ESR1 2055/4885ESR2 3888/4885APP 1043/4885

“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.