SCHEMBL4576935

SCHEMBL4576935

C1=CC(Cc2ccccc2)=C([Hf+2]C2=C(Cc3ccccc3)C=CC2)C1.[H-].[H-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL4577148 0.84 CALM1 (0.31) CALM1
SCHEMBL8561371 0.83 LMNA (0.35) CALM1MEN1KMT2ALMNA
SCHEMBL3837766 0.79 CALM1 (0.39) CALM1CYP3A4LMNAMAOAMAOB
Fluoride Ion SCHEMBL1131139 0.79 HTR2A (0.39) MAOAMAOBADRA1ALTA4H
SCHEMBL2234571 0.77 CALM1 (0.41) CALM1MEN1CYP3A4HPGDALOX15
SCHEMBL7931809 0.76 CALM1 (0.44) CALM1MEN1CYP3A4HPGDALOX15
SCHEMBL4576336 0.76 CALM1 (0.39) CALM1LMNAMAOAMAOBBCL2
Hydrochloric Acid SCHEMBL3680937 0.76 CALM1 (0.39) CALM1CYP3A4LMNAMAOAMAOB
Fluoride SCHEMBL1131271 0.76 CALM1 (0.39) CALM1CYP3A4LMNAMAOAMAOB
SCHEMBL4576937 0.76 CALM1 (0.39) CALM1LMNAMAOAMAOBBCL2

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 CALM1 4416/4885MEN1 3487/4885CYP3A4 1849/4885
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B CALM1 4569/4885MEN1 1206/4885CYP3A4 2143/4885

“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.