SCHEMBL1783260

SCHEMBL1783260

CC(=O)C1=CC(C)CCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.41
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.30
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
SCHEMBL1783216 0.87
SCHEMBL6372307 0.83 OAT (0.60) OATCES2LMNATSHR
SCHEMBL687979 0.78 OAT (0.40) OAT
SCHEMBL11883411 0.76 OAT (0.52) OATCES2LMNATSHR
SCHEMBL20663286 0.74 HPGD (0.43)
SCHEMBL6899350 0.71 ESR1 (0.33) OATLMNA
SCHEMBL3726007 0.71 ESR1 (0.33) OATLMNA
SCHEMBL545207 0.70
SCHEMBL13563806 0.70
Acetic Acid Methyl Ester SCHEMBL997367 0.69 ALDH1A1 (0.36) OAT

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-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
WO-2012050645-A9 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2012-06-07 WO disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
WO-2012050645-A2 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2012-04-19 WO 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-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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 OAT 1619/4885CES2 1371/4885LMNA 1708/4885
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 OAT 769/4885CES2 464/4885LMNA 4340/4885

“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.