SCHEMBL2394884

SCHEMBL2394884

C=CC(=O)OCC1(CC)COC(=O)N1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.31

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
Hydrochloric Acid SCHEMBL8174730 0.99 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
Acetic Acid SCHEMBL8189714 0.96 TSHR (0.31) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7110490 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7111765 0.86 GSTP1 (0.33)
SCHEMBL7109743 0.84 TSHR (0.33) TSHRHPGDATM
SCHEMBL8776584 0.71 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7111886 0.70 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2391518 0.68 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL238971 0.67 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13968333 0.67 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017665-B2 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-09-13 US claimed
US-7173073-B2 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. (US) 2007-02-06 US claimed
EP-1327893-B1 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE (US) 2006-07-12 EP claimed
US-20030139490-A1 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. 2003-07-24 US claimed
WO-2003060572-A1 OPHTHALMIC DEVICES CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-07-24 WO claimed
EP-1327893-A1 Ophthalmic devices containing heterocyclic compounds and methods for their production Johnson & Johnson Vision Care, Inc. (US) 2003-07-16 EP claimed
US-6162452-A Surface active N-halamine compounds AUBURN UNIVERSITY (US) 2000-12-19 US claimed
WO-1999029678-A1 MONOMERIC AND POLYMERIC SURFACE ACTIVE BIOCIDAL N-HALO-OXAZOLIDINONES AUBURN UNIVERSITY (US) 1999-06-17 WO claimed
US-5902818-A N-HALOGENATED, OXAZOLIDINONE MONOMERS HAVING AN ACRYLIC ESTER GROUP AT THE 4-POSITION RELEASE SMALL AMOUNTS FREE HALOGENS; DISINFECTANTS SUCH AS MEDICAL AND DENTAL COATINGS, FABRICS; COST EFFICIENCY, PERFORMANCE AUBURN UNIVERSITY (US) 1999-05-11 US claimed
US-8017665-B2 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-09-13 US disclosed
US-20100238399-A1 OPHTHALMIC DEVICES CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION JOHNSON & JOHNSON VISION CARE, INC. 2010-09-23 US disclosed
US-7767730-B2 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. (US) 2010-08-03 US disclosed
US-20070155852-A1 OPHTHALMIC DEVICES CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION JOHNSON & JOHNSON VISION CARE, INC. 2007-07-05 US disclosed
US-7173073-B2 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. (US) 2007-02-06 US disclosed
US-20030064051-A1 Surface active N-halamine compounds AUBURN UNIVERSITY 2003-04-03 US disclosed
US-20030044376-A1 Surface active N-halamine compounds AUBURN UNIVERSITY 2003-03-06 US disclosed
US-6469177-B1 CYCLIC N-HALAMINES THAT ARE BIOCIDAL WHEN THEY COME IN CONTACT WITH HALOGEN-SENSITIVE ORGANISMS; ACHIEVED BY COATING THE N-HALAMINE ON A SUBSTRATE AUBURN UNIVERSITY 2002-10-22 US disclosed
US-6162452-A Surface active N-halamine compounds AUBURN UNIVERSITY (US) 2000-12-19 US disclosed
WO-1999029678-A1 MONOMERIC AND POLYMERIC SURFACE ACTIVE BIOCIDAL N-HALO-OXAZOLIDINONES AUBURN UNIVERSITY (US) 1999-06-17 WO disclosed
US-5902818-A N-HALOGENATED, OXAZOLIDINONE MONOMERS HAVING AN ACRYLIC ESTER GROUP AT THE 4-POSITION RELEASE SMALL AMOUNTS FREE HALOGENS; DISINFECTANTS SUCH AS MEDICAL AND DENTAL COATINGS, FABRICS; COST EFFICIENCY, PERFORMANCE AUBURN UNIVERSITY (US) 1999-05-11 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-20030044376-A1 Surface active N-halamine compounds AAAS, HNMT, LTN1 TSHR 1696/4885HPGD 466/4885ALDH1A1 1576/4885
US-20030064051-A1 Surface active N-halamine compounds AAAS, HNMT, LTN1 TSHR 1696/4885HPGD 466/4885ALDH1A1 1576/4885

“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.