SCHEMBL4872364

SCHEMBL4872364

C=[Zr+2](C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[H-].[H-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PGR P06401 1/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 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
Hydrochloric Acid SCHEMBL217903 0.97 PNMT (0.37) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL7185528 0.83 PNMT (0.39) PNMTNPC1RAB9APGRHTR7
SCHEMBL2268057 0.82 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL2858645 0.82 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
SCHEMBL4577365 0.82 NPC1 (0.40) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL7949440 0.81 PNMT (0.37) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL29236923 0.80 PNMT (0.36) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL9242917 0.80 NPC1 (0.39) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL7716977 0.79 PNMT (0.47) PNMTNPC1RAB9APGRHTR7
Iodide SCHEMBL7931400 0.79 NPC1 (0.40) PNMTNPC1RAB9APGRHTR7

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
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
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
US-6121395-A Ionic metallocene catalyst compositions EXXON CHEMICAL PATENTS INC. (US) 2000-09-19 US disclosed
US-5384299-A Ionic metallocene catalyst compositions EXXON CHEMICAL PATENTS INC. (US) 1995-01-24 US disclosed
US-5198401-A Ionic metallocene catalyst compositions EXXON CHEMICAL PATENTS INC. (US) 1993-03-30 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-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS AADAC, NAA15, ALG8 PNMT 2261/4885NPC1 2597/4885RAB9A 3603/4885
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B PNMT 1860/4885NPC1 1150/4885RAB9A 1952/4885

“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.