SCHEMBL562768

SCHEMBL562768

CCCC(CCC)O[PH](=O)OC(CCC)CCC

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5696858 0.91 TSHR (0.37)
SCHEMBL1548461 0.90 PRKCA (0.33)
SCHEMBL4276613 0.82 OPRM1 (0.37)
SCHEMBL16301163 0.81
SCHEMBL11060246 0.80 SMPD1 (0.39)
SCHEMBL9193885 0.80 SMPD1 (0.39)
SCHEMBL7917453 0.80 FDPS (0.38)
SCHEMBL562769 0.79 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7917463 0.79 FDPS (0.41)
SCHEMBL21354208 0.79 FDPS (0.41)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034480-A1 Catalyst for producing polyesters and polyester resin composition SAKAMOTO JUN (JP) 2012-02-09 US disclosed
US-20100209735-A1 Polyester resin compositions, polyester film, and magnetic recording medium YOSHIMURA HITOSHI 2010-08-19 US disclosed
US-7709594-B2 Polyester resin compositions, catalyst for polyester production, polyester film, and magnetic recording medium TORAY INDUSTRIES, INC. (JP) 2010-05-04 US disclosed
US-20050239929-A1 Polyester resin compositions, catalyst for polyester production, polyester film, and magnetic recording medium TORAY INDUSTRIES, INC. (JP) 2005-10-27 US disclosed
EP-1550683-A1 POLYESTER RESIN COMPOSITIONS, CATALYST FOR POLYESTER PRODUCTION, POLYESTER FILM, AND MAGNETIC RECORDING MEDIUM TORAY INDUSTRIES, INC. (JP) 2005-07-06 EP disclosed
US-4029609-A HEAT RESISTANCE TOYO BOSEKI KABUSHIKI KAISHA (JA) 1977-06-14 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-20120034480-A1 Catalyst for producing polyesters and polyester resin composition PUF60, RPS24, SRP54 CHRM1 696/4885AKR1A1 4617/4885CHRM3 1198/4885

“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.