SCHEMBL2391518

SCHEMBL2391518

C=CC(=O)OCC1(CC)COC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
SCHEMBL8976625 0.91 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7152581 0.86 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8167873 0.85 GSTP1 (0.37)
SCHEMBL7108697 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7110849 0.85 GSTP1 (0.37)
SCHEMBL4446549 0.75 NPSR1 (0.34) TSHR
SCHEMBL8776584 0.72 TSHR (0.38) TSHRHPGDATMALDH1A1TP53
SCHEMBL2394831 0.72 MGLL (0.32)
SCHEMBL28506107 0.70 TSHR (0.33) TSHRHPGD
SCHEMBL238971 0.69 TSHR (0.43) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111691182-A Surface treatment process for plant fiber 张万玲 2020-09-22 CN claimed
US-20030064051-A1 Surface active N-halamine compounds AUBURN UNIVERSITY 2003-04-03 US claimed
US-20030044376-A1 Surface active N-halamine compounds AUBURN UNIVERSITY 2003-03-06 US claimed
CN-111691182-A Surface treatment process for plant fiber 张万玲 2020-09-22 CN disclosed
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-8017665-B2 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-09-13 US disclosed
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-20100238399-A1 OPHTHALMIC DEVICES CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION JOHNSON & JOHNSON VISION CARE, INC. 2010-09-23 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-20030139490-A1 Ophthalmic devices containing heterocyclic compounds and methods for their production JOHNSON & JOHNSON VISION CARE, INC. 2003-07-24 US disclosed
WO-2003060572-A1 OPHTHALMIC DEVICES CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-07-24 WO disclosed
EP-1327893-A1 Ophthalmic devices containing heterocyclic compounds and methods for their production Johnson & Johnson Vision Care, Inc. (US) 2003-07-16 EP 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 466/4885ATM 4407/4885
US-20030064051-A1 Surface active N-halamine compounds AAAS, HNMT, LTN1 TSHR 1696/4885HPGD 466/4885ATM 4407/4885

“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.