SCHEMBL1786827

SCHEMBL1786827

CCCC(C)(C)CCC=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 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
SCHEMBL2737881 0.85 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL1784622 0.85 TSHR (0.52) ALDH1A1TSHRFAAHTRPV1TDP1
SCHEMBL1784663 0.85 TSHR (0.52) ALDH1A1TSHRFAAHTRPV1TDP1
SCHEMBL1783265 0.83 TSHR (0.52) ALDH1A1TSHRFAAHTRPV1HIF1A
SCHEMBL1787521 0.83 TSHR (0.52) ALDH1A1TSHRFAAHTRPV1TDP1
SCHEMBL1782658 0.81
SCHEMBL10977912 0.79 ALDH1A1 (0.41) ALDH1A1TSHRFAAHTRPV1TDP1
SCHEMBL27495248 0.77 ALDH1A1 (0.33) ALDH1A1TSHRHIF1A
SCHEMBL1786336 0.77 TRPA1 (0.42) ALDH1A1TSHR
SCHEMBL1786334 0.77 TRPA1 (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272078-B Method for producing polymethylols BASF SE 2015-06-03 CN disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
CN-102272078-A Method for producing polymethylols 2011-12-07 CN 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-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
CN-1674884-A Synergistic combination of an alpha-2-delta ligand and a PDEV inhibitor for use in the treatment of pain PFIZER LTD (US) 2005-09-28 CN disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
EP-0912490-A1 ESTERS, ETHERS, AND COMPOSITIONS COMPRISING THEM EXXON CHEMICAL PATENTS INC. (US) 1999-05-06 EP disclosed
WO-1998003462-A1 ESTERS, ETHERS, AND COMPOSITIONS COMPRISING THEM EXXON CHEMICAL PATENTS, INC. (US) 1998-01-29 WO disclosed
WO-1998002406-A1 RECYCLE AND RECOVERY OF USEFUL PRODUCTS FROM HEAVY ALDOL BY-PRODUCTS EXXON CHEMICAL PATENTS, INC. (US) 1998-01-22 WO disclosed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO 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 520/4885TSHR 2479/4885FAAH 94/4885

“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.