SCHEMBL1783485

SCHEMBL1783485

CC(C=O)=CCCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
PTPN1 P18031 2/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.32
LMNA P02545 1/20 0.32
BTN3A1 O00481 1/20 0.32

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
SCHEMBL1783484 1.00 KDM1A (0.40) KDM1APTPN1ALOX15TSHRBLM
SCHEMBL1783550 0.94 KDM1A (0.39) KDM1APTPN1ALOX15TSHRBLM
SCHEMBL1783548 0.94 KDM1A (0.39) KDM1APTPN1ALOX15TSHRBLM
SCHEMBL1783297 0.86 ALOX15 (0.41) KDM1APTPN1ALOX15TSHRBTN3A1
SCHEMBL1783298 0.86 ALOX15 (0.41) KDM1APTPN1ALOX15TSHRBTN3A1
SCHEMBL4581845 0.84 PTPN1 (0.47) KDM1APTPN1ALOX15TSHRBLM
SCHEMBL4581846 0.84 PTPN1 (0.47) KDM1APTPN1ALOX15TSHRBLM
SCHEMBL1784181 0.82 PTPN1 (0.36) PTPN1ALOX15TSHR
SCHEMBL1784180 0.82 PTPN1 (0.36) PTPN1ALOX15TSHR
SCHEMBL1817398 0.80 PTPN1 (0.37) KDM1APTPN1ALOX15TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0804397-B1 OXYGENATES AND PROCESSES FOR THEIR MANUFACTURE EXXONMOBIL CHEM PATENTS INC (US) 2002-04-03 EP disclosed
US-6265619-B1 HYDROFORMYLATING ETHYLENE AND ETHYLENICALLY UNSATURATED HYDROCARBON TO FORM PROPIONALDEHYDE AND ALDEHYDE; SUBJECTING TO CROSS-ALDOLIZATION TO PRODUCE UNSATURATED ALDEHYDE EXXON CHEMICAL PATENTS INC. 2001-07-24 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 KDM1A 2902/4885PTPN1 4528/4885ALOX15 1416/4885

“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.