SCHEMBL1785337

SCHEMBL1785337

CCC(C)CC(C)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
PTPN1 P18031 1/20 0.31
TSHR P16473 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
SCHEMBL12894214 1.00 ALDH1A1 (0.48) ALDH1A1TDP1PTPN1TSHR
SCHEMBL813121 0.98 ALDH1A1 (0.46) ALDH1A1TDP1PTPN1
SCHEMBL17967769 0.98 ALDH1A1 (0.46) ALDH1A1TDP1PTPN1
SCHEMBL270159 0.87
SCHEMBL7540967 0.87
SCHEMBL27601579 0.87
SCHEMBL4984202 0.87
SCHEMBL1781202 0.81 TDP1 (0.44) ALDH1A1TDP1TSHR
SCHEMBL12302896 0.81 TDP1 (0.44) ALDH1A1TDP1TSHR
SCHEMBL3252813 0.81 ALDH1A1 (0.44) ALDH1A1TDP1PTPN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958033-A ACETYLENIC, CARBONYL COMPOUND OR OXIRANE, PROPARGYL HALIDE, MAGNESIUM, ZINC OR ITS HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-18 US claimed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-4958033-A ACETYLENIC, CARBONYL COMPOUND OR OXIRANE, PROPARGYL HALIDE, MAGNESIUM, ZINC OR ITS HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-18 US disclosed
EP-0113107-B1 PROCESS FOR PREPARING ALCOHOLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-07 EP disclosed
EP-0113107-A2 Process for preparing alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-07-11 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885TDP1 3995/4885PTPN1 4528/4885

“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.