SCHEMBL815085

SCHEMBL815085

Cc1cccc(C)c1[PH+](c1c(C)cccc1C)c1c(C)cccc1C.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
NFE2L2 Q16236 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TACR1 P25103 2/20 0.32
CMKLR1 Q99788 1/20 0.31
GRIN2B Q13224 1/20 0.31
IKBKB O14920 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 1/20 0.31
RXRG P48443 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL812523 0.82 P2RX1 (0.34) P2RX1RAPGEF4GAARXRARXRB
SCHEMBL456893 0.78 P2RX1 (0.36) P2RX1RAPGEF4GAARXRARXRB
Benzene SCHEMBL30336225 0.75 TSHR (0.43) P2RX1RXRARXRBTSHRMAPK1
SCHEMBL41567 0.75 CES2 (0.44) RAPGEF4RXRARXRBTSHRMAPK1
SCHEMBL215855 0.74 ALDH1A1 (0.41) P2RX1GAATSHRTACR1
Toluene SCHEMBL6239727 0.74 TSHR (0.41) P2RX1RAPGEF4RXRARXRBNFE2L2
Toluene SCHEMBL6538388 0.74 TSHR (0.41) P2RX1RAPGEF4RXRARXRBNFE2L2
SCHEMBL30509222 0.73 CES2 (0.39) RAPGEF4RXRARXRBTSHRIKBKB
SCHEMBL6866090 0.73 CES2 (0.42) RAPGEF4RXRARXRBTSHRMAPK1
SCHEMBL226082 0.73 CES2 (0.42) RAPGEF4RXRARXRBTSHRMAPK1

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 20 patents. 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
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US 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
US-7217675-B2 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-15 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
EP-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 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

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 P2RX1 208/4885RAPGEF4 4460/4885GAA 3731/4885
US-20040266961-A1 Catalyst composition II MLX, CBX2, BMX P2RX1 583/4885RAPGEF4 4437/4885GAA 3583/4885
US-20070191607-A1 Catalyst composition MLX, LMNB2, TPX2 P2RX1 873/4885RAPGEF4 3996/4885GAA 4102/4885

“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.