SCHEMBL6904985

SCHEMBL6904985

CCCCCCCCCCCC[N+](C)(C)C.O=P([O-])(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
AGTR1 P30556 2/20 0.49
KCNH2 Q12809 2/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49

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
SCHEMBL11378629 1.00 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
SCHEMBL11359878 1.00 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
Cetrimonium SCHEMBL11374448 1.00 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
SCHEMBL11368461 1.00 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
SCHEMBL11362584 0.93 ESR1 (0.46) ESR1ADORA3AGTR1KCNH2MLNR
Phenyl Dihydrogen Phosphate SCHEMBL11362295 0.91 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
Phenyl Dihydrogen Phosphate SCHEMBL11374481 0.91 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
SCHEMBL11364700 0.91 MLNR (0.60) ESR1ADORA3AGTR1KCNH2MLNR
SCHEMBL11372107 0.91 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR
SCHEMBL11370988 0.91 ESR1 (0.49) ESR1ADORA3AGTR1KCNH2MLNR

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-4077860-A Photopolymerizable composition stabilized with ammonium salts of phosphorus acid and process STAUFFER CHEMICAL COMPANY (US) 1978-03-07 US claimed
US-20040171867-A1 Reactive monomer composition modified by a small-amount of lactones, an acrylic polyol resin, a curable resin composition, and a coating composition OKAZAKI AKIRA (JP) 2004-09-02 US disclosed
US-6767987-B2 CURABLE RESIN COMPOSITION COMPRISING ACRYLIC POLYOL RESIN INCLUDING HYDROXYALKYL(METH)ACRYLATE COMPOSITION HAVING SMALL AMOUNT OF POLYMERIZED LACTONE MONOMER, AND MELAMINE RESIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
US-20030149227-A1 Lowly lactone-modified reactive monomer composition, acrylic polyol resins produced with the same, curable resin compositions and coating compositions DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-07 US disclosed
EP-1227113-A1 LOWLY LACTONE-MODIFIED REACTIVE MONOMER COMPOSITION, ACRYLIC POLYOL RESINS PRODUCED WITH THE SAME, CURABLE RESIN COMPOSITIONS AND COATING COMPOSITIONS DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2002-07-31 EP disclosed
EP-0751196-B1 Curable resin composition, coating composition and process for forming a cured film NIPPON PAINT CO LTD (JP) 2000-01-05 EP disclosed
US-5932658-A CURABLE NIPPON PAINT CO., LTD. (JP) 1999-08-03 US disclosed
EP-0789064-A2 Curable resin composition, coating composition and method for forming coated film Nippon Paint Co., Ltd. (JP) 1997-08-13 EP disclosed
EP-0751196-A2 Curable resin composition, coating composition and process for forming a cured film Nippon Paint Co., Ltd. (JP) 1997-01-02 EP disclosed
US-4252662-A EROSION INHIBITOR STAUFFER CHEMICAL COMPANY (US) 1981-02-24 US disclosed
US-4077860-A Photopolymerizable composition stabilized with ammonium salts of phosphorus acid and process STAUFFER CHEMICAL COMPANY (US) 1978-03-07 US disclosed
US-3956154-A AIRCRAFT STAUFFER CHEMICAL COMPANY (US) 1976-05-11 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 (1 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-20040171867-A1 Reactive monomer composition modified by a small-amount of lactones, an acrylic polyol resin, a curable resin composition, and a coating composition MSR1, FUT4, MRE11 ESR1 2135/4885ADORA3 523/4885AGTR1 2213/4885

“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.