SCHEMBL1782275

SCHEMBL1782275

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
CHRM1 P11229 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL17953985 1.00 PTPN1 (0.35) PTPN1ALDH1A1TDP1TSHRCHRM1
SCHEMBL11561306 0.81 CA1 (0.34) TSHRACE2
SCHEMBL21968568 0.81 ENPEP (0.37)
SCHEMBL1784139 0.80 TSHR (0.44) TDP1TSHRCHRM1ACE2
SCHEMBL15249703 0.80 TSHR (0.44) TDP1TSHRCHRM1ACE2
SCHEMBL12891365 0.80 ALDH1A1 (0.40) ALDH1A1TDP1CHRM1
SCHEMBL17953984 0.80 ALDH1A1 (0.40) ALDH1A1TDP1CHRM1
SCHEMBL9272361 0.79 NAALAD2 (0.46) ACE2
SCHEMBL1572858 0.79 NAALAD2 (0.46) ACE2
SCHEMBL9550634 0.79 NAALAD2 (0.46) ACE2

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
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
US-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2010069495-A1 ATPENINS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO 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

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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 PTPN1 4528/4885ALDH1A1 520/4885TDP1 3995/4885
US-20100168175-A1 ATPENINS ATP5ME, ATP5MK, ATP5F1B PTPN1 3393/4885ALDH1A1 3630/4885TDP1 2126/4885

“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.