Predicted protein targets (top 2)
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5951408 | 0.77 | CES2 (0.38) | CES2CES1 | |
| SCHEMBL7607898 | 0.74 | — | — | |
| SCHEMBL45430 | 0.72 | CES2 (0.53) | CES2CES1 | |
| SCHEMBL3975406 | 0.69 | CES2 (0.50) | CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL3047305 | 0.69 | CES2 (0.50) | CES2CES1 | |
| SCHEMBL11355080 | 0.69 | CES2 (0.50) | CES2CES1 | |
| SCHEMBL7505842 | 0.68 | EPHX2 (0.36) | — | |
| SCHEMBL5952201 | 0.67 | ALDH1A1 (0.42) | CES2CES1 | |
| Hydrazine SCHEMBL3793747 | 0.66 | CES2 (0.48) | CES2CES1 | |
| SCHEMBL5951303 | 0.65 | ACHE (0.43) | CES2CES1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507707-B2 | Regioselective catalytic conversion of hydrocarbons to versatile synthetic reagents via C-H bond functionalization | UNIVERSITY OF WINDSOR (CA) | 2013-08-13 | — | — | US | disclosed |
| US-20110282087-A1 | Regioselective catalytic conversion of hydrocarbons to versatile synthetic reagents via C-H bond functionalization | UNIVERSITY OF WINDSOR (CA) | 2011-11-17 | — | — | US | disclosed |
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| US-7038070-B2 | Preparation of preparing substituted indanones | BASELL POLYOLEFINE GMBH (DE) | 2006-05-02 | — | — | US | disclosed |
| US-6963017-B2 | Preparation of preparing substituted indanones | BASELL POLYOLEFINE GMBH (DE) | 2005-11-08 | — | — | US | disclosed |
| EP-0968158-B1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | BASELL POLYOLEFINE GMBH (DE) | 2005-08-10 | — | — | EP | disclosed |
| US-20050033076-A1 | Preparation of preparing substituted indanones | EQUISTAR CHEMICALS, LP | 2005-02-10 | — | — | US | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |
| US-20030009046-A1 | Preparation of preparing substituted indanones | EQUISTAR CHEMICALS, LP | 2003-01-09 | — | — | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110282087-A1 | Regioselective catalytic conversion of hydrocarbons to versatile synthetic reagents via C-H bond functionalization | AHR, HRH4, HRH3 | CES2 451/4885CES1 2140/4885 |
| US-20050033076-A1 | Preparation of preparing substituted indanones | CYP1A2, CYP2J2, IDH3A | CES2 1925/4885CES1 3217/4885 |
| US-20030009046-A1 | Preparation of preparing substituted indanones | CYP1A2, CYP1B1, CYP1A1 | CES2 1961/4885CES1 2736/4885 |
“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.