SCHEMBL1783446

SCHEMBL1783446

CCCC(C)C(C)CC=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1784175 0.85 TSHR (0.43) ALDH1A1MAPK1TSHRADH1BADH1C
SCHEMBL1784524 0.83 ADH1B (0.45) TSHRADH1BADH1CADH1AADH4
SCHEMBL3122429 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1TSHRADH1B
SCHEMBL1783887 0.79 ALDH1A1 (0.48) METAP1ALDH1A1MAPK1TDP1TSHR
SCHEMBL1785512 0.78 METAP1 (0.38) METAP1ALDH1A1TDP1TSHR
SCHEMBL1782515 0.78 METAP1 (0.34) METAP1
SCHEMBL1786288 0.78
SCHEMBL7491595 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10984639 0.77 TSHR (0.36) TSHR
SCHEMBL1784570 0.77 TRPA1 (0.42) METAP1ALDH1A1TSHR

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 10 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
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

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 METAP1 3904/4885ALDH1A1 520/4885MAPK1 150/4885

“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.