SCHEMBL2056762

SCHEMBL2056762

C=CNC(=O)OCCCCCCOC(=O)NC=C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
EPHX1 P07099 1/20 0.45
ACHE P22303 12/20 0.44
HPGD P15428 1/20 0.38

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
SCHEMBL21570869 0.98 TSHR (0.48) TSHRALDH1A1CYP3A4EPHX1ACHE
SCHEMBL7534754 0.90 EPHX1 (0.61) TSHREPHX1ACHEHPGD
SCHEMBL3663445 0.90 EPHX1 (0.61) TSHREPHX1ACHEHPGD
SCHEMBL8997419 0.90 EPHX1 (0.61) TSHREPHX1ACHEHPGD
SCHEMBL7534806 0.90 EPHX1 (0.61) TSHREPHX1ACHEHPGD
SCHEMBL24090419 0.90 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4EPHX1ACHE
SCHEMBL11122001 0.88 TSHR (0.41) TSHRALDH1A1CYP3A4EPHX1ACHE
SCHEMBL21787200 0.87 ACHE (0.41) TSHRALDH1A1CYP3A4EPHX1ACHE
SCHEMBL5924841 0.85 HPGD (0.57) TSHRALDH1A1EPHX1ACHEHPGD
SCHEMBL7513891 0.84 EPHX2 (0.40) TSHRALDH1A1CYP3A4EPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424965-B1 CROSSLINK AGENTS AND ITS USE BAUSCH & LOMB (US) 2020-05-13 EP disclosed
EP-3424965-A1 CROSSLINK AGENTS AND DUAL RADICAL CURE POLYMER Bausch & Lomb Incorporated (US) 2019-01-09 EP disclosed
EP-2167555-B1 CROSSLINK AGENTS AND DUAL RADICAL CURE POLYMER BAUSCH & LOMB (US) 2018-10-10 EP disclosed
US-8252850-B2 Crosslink agents BAUSCH & LOMB INCORPORATED (US) 2012-08-28 US disclosed
US-20110105779-A1 CROSSLINK AGENTS ORAPHARMA, INC. 2011-05-05 US disclosed
US-7901073-B2 Silicone hydrogel with composite hydrophilic and silicone polymers prepared with selective crosslink agents BAUSCH & LOMB INCORPORATED (US) 2011-03-08 US disclosed
US-20090018233-A1 Crosslink Agents and Dual Radical Cure Polymer SOLTA MEDICAL, INC. 2009-01-15 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-20110105779-A1 CROSSLINK AGENTS UACA, CRYAA, DCLRE1A TSHR 3185/4885ALDH1A1 2278/4885CYP3A4 4579/4885
US-20090018233-A1 Crosslink Agents and Dual Radical Cure Polymer UACA, CRYAA, RAD51 TSHR 2555/4885ALDH1A1 1327/4885CYP3A4 3687/4885

“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.