SCHEMBL4590698

SCHEMBL4590698

C1=CC([Hf+2]C2c3ccccc3-c3ccccc32)c2ccccc21.[H-].[H-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 3/20 0.32
CYP2D6 P10635 2/20 0.32
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 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
Hydrochloric Acid SCHEMBL6918930 0.96 HTR6 (0.33) HTR6HTR2ACYP2D6GPR3KDM4E
SCHEMBL4576220 0.85 HTR2A (0.39) HTR6HTR2ACYP2D6KDM4ELMNA
Hydrochloric Acid SCHEMBL8713393 0.83 HTR2A (0.38) HTR6HTR2ACYP2D6KDM4ELMNA
Hydrochloric Acid SCHEMBL819246 0.81 HTR2A (0.39) HTR6HTR2ACYP2D6KDM4ELMNA
Hydrochloric Acid SCHEMBL29573673 0.81 HTR2A (0.39) HTR6HTR2ACYP2D6KDM4ELMNA
Fluoride Ion SCHEMBL7641581 0.81 HTR2A (0.39) HTR6HTR2ACYP2D6KDM4ELMNA
Ethylene SCHEMBL2879207 0.77 HTR2A (0.36) HTR6HTR2ACYP2D6KDM4ELMNA
Ethylene SCHEMBL4323086 0.77 HTR2A (0.41) HTR6HTR2ACYP2D6KDM4ELMNA
SCHEMBL8379133 0.76 GPR3 (0.42) HTR2ACYP2D6GPR3CHRM2CHRM1
Hydrochloric Acid SCHEMBL5405175 0.74

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 12 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-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-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 HTR6 3150/4885HTR2A 2972/4885CYP2D6 2571/4885
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B HTR6 3660/4885HTR2A 4018/4885CYP2D6 3380/4885

“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.