SCHEMBL4867414

SCHEMBL4867414

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
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
SRD5A2 P31213 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PGR P06401 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 SCHEMBL217435 0.97 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL10319883 0.79 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL217757 0.79 NPC1 (0.40) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL819642 0.79 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL217148 0.79 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL2141414 0.76 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL819695 0.76 PNMT (0.33) PNMTNPC1RAB9ADRD2DRD4
Hydrochloric Acid SCHEMBL217378 0.76 PNMT (0.33) PNMTNPC1RAB9ADRD2DRD4
Hydrochloric Acid SCHEMBL819870 0.76 NPC1 (0.35) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL219524 0.76 SRD5A2 (0.35) PNMTNPC1RAB9AHTR7HTR2B

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.

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-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 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

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.