SCHEMBL813875

SCHEMBL813875

Cc1cccc(C)c1[PH+](c1c(C)cccc1C)c1c(C)cccc1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.33
CYP2A6 P11509 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29581687 0.78 ACHE (0.38) ACHETSHRALDH1A1CA1CA2
SCHEMBL335867 0.78 ACHE (0.38) ACHETSHRALDH1A1CA1CA2
SCHEMBL29582300 0.78 TRPA1 (0.34) ACHETSHRALDH1A1CYP2A6TRPA1
SCHEMBL336045 0.78 TRPA1 (0.34) ACHETSHRALDH1A1CYP2A6TRPA1
SCHEMBL29873736 0.74 ACHE (0.38) ACHETSHRALDH1A1CA1CA2
SCHEMBL5089460 0.73 ALDH1A1 (0.39) ACHETSHRALDH1A1LMNAALOX12
SCHEMBL8022933 0.72 TRPA1 (0.37) ACHETSHRALDH1A1CYP2A6TRPA1
Benzene SCHEMBL31091106 0.72 ALDH1A1 (0.50) ACHETSHRALDH1A1CYP2A6CYP1A2
SCHEMBL143876 0.72 ALDH1A1 (0.50) ACHETSHRALDH1A1CYP2A6CYP1A2
SCHEMBL11707018 0.72 ALDH1A1 (0.50) ACHETSHRALDH1A1CYP2A6CYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US claimed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US claimed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US claimed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US claimed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US claimed
EP-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO claimed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-7820582-B2 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-10-26 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070191607-A1 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-16 US disclosed
EP-1603929-B1 SOLUBLE GROUP-10 ALPHA-DIIMINE CATALYST PRECURSORS EXXONMOBIL CHEM PATENTS INC (US) 2007-08-01 EP disclosed
EP-1603956-A2 CATALYST COMPOSITION ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2005-12-14 EP disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242893-A1 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed
WO-2004085497-A2 CATALYST COMPOSITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-10-07 WO disclosed
WO-2004083224-A1 SOLUBLE GROUP-10 α-DIIMINE CATALYST PRECURSORS, EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-09-30 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 (3 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-20040242893-A1 Catalyst composition MLX, BMX, CDYL ACHE 3134/4885TSHR 4307/4885ALDH1A1 3646/4885
US-20040266961-A1 Catalyst composition II MLX, CBX2, BMX ACHE 3557/4885TSHR 4496/4885ALDH1A1 4593/4885
US-20070191607-A1 Catalyst composition MLX, LMNB2, TPX2 ACHE 2458/4885TSHR 3424/4885ALDH1A1 4309/4885

“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.