SCHEMBL2345855

SCHEMBL2345855

CCCCC([O])(CCC)C(C)CCC

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRM1 P35372 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL2346556 0.92 GGPS1 (0.39)
SCHEMBL2346912 0.91 TSHR (0.35) TSHRSMN1; SMN2CA2MAPK1OPRM1
SCHEMBL2345857 0.86 TSHR (0.38) TSHRSMN1; SMN2CA2MAPK1OPRM1
SCHEMBL2344972 0.86 TSHR (0.38) TSHRSMN1; SMN2CA2MAPK1OPRM1
SCHEMBL2346700 0.83 GGPS1 (0.39) OPRM1
SCHEMBL2348900 0.83 ADH1B (0.39) OPRM1
SCHEMBL2346562 0.83 ADH1B (0.39) OPRM1
SCHEMBL2348897 0.81 GGPS1 (0.41) TSHRSMN1; SMN2
SCHEMBL2350127 0.81 GGPS1 (0.41) OPRM1
SCHEMBL2347905 0.78 TSHR (0.35) TSHRSMN1; SMN2CA2MAPK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078724-B1 PROCESS FOR PRODUCTION OF DIALKYLTIN DIALKOXIDES ASAHI CHEMICAL IND (JP) 2016-11-30 EP disclosed
EP-2226328-B1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2012-12-26 EP disclosed
US-8168812-B2 Process for producing alkyl tin alkoxide compound and process for producing carbonic acid ester using said compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-05-01 US disclosed
US-8008518-B2 Process for producing dialkyl tin dialkoxides ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-08-30 US disclosed
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2226328-A1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-09-08 EP disclosed
US-20100041908-A1 PROCESS FOR PRODUCING DIALKYL TIN DIALKOXIDES ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-02-18 US disclosed
EP-2078724-A1 PROCESS FOR PRODUCTION OF DIALKYLTIN DIALKOXIDES Asahi Kasei Chemicals Corporation (JP) 2009-07-15 EP 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-20100041908-A1 PROCESS FOR PRODUCING DIALKYL TIN DIALKOXIDES DEK, DDT, DERA TSHR 2537/4885SMN1; SMN2 4349/4885CA2 1514/4885
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound OXSR1, AOC2, OXER1 TSHR 249/4885SMN1; SMN2 2341/4885CA2 924/4885

“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.