SCHEMBL4591471

SCHEMBL4591471

C1=CC(CC2CCCCC2)=C([Hf+2]C2=C(CC3CCCCC3)C=CC2)C1.[H-].[H-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
DAO P14920 1/20 0.30

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
Fluoride Ion SCHEMBL1130495 0.96 CEL (0.32) HTR3AHRH4DAO
SCHEMBL4871069 0.85
SCHEMBL3842752 0.79 HTR3A (0.32) HTR3AHRH4DAO
SCHEMBL9615111 0.76 HTR3A (0.33) HTR3AHRH4DAO
SCHEMBL4576073 0.75 HTR3A (0.32) HTR3AHRH4DAO
SCHEMBL3842749 0.75 HTR3A (0.32) HTR3AHRH4DAO
SCHEMBL4591474 0.75 HTR3A (0.32) HTR3AHRH4DAO
Fluoride SCHEMBL1130305 0.75 HTR3A (0.32) HTR3AHRH4DAO
Hydrochloric Acid SCHEMBL3680482 0.75 HTR3A (0.32) HTR3AHRH4DAO
SCHEMBL7173370 0.74 HTR3A (0.31) HTR3AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
EP-1448568-A4 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEM PATENTS INC (US) 2008-02-13 EP disclosed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US disclosed
US-6909008-B2 Cocatalyst compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-06-21 US disclosed
US-20050049436-A1 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. 2005-03-03 US disclosed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US disclosed
US-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-07 US disclosed
EP-1463738-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES Exxonmobil Chemical Patents Inc. (US) 2004-10-06 EP disclosed
EP-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP disclosed
EP-1448568-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS ExxonMobil Chemical Patents Inc. (US) 2004-08-25 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
WO-2003051892-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-26 WO disclosed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO disclosed
WO-2003040070-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-05-15 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 (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-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS AADAC, NAA15, ALG8 HTR3A 3288/4885HRH4 3143/4885DAO 183/4885
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B HTR3A 2220/4885HRH4 1981/4885DAO 3679/4885

“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.