SCHEMBL1783917

SCHEMBL1783917

CCCC/C(C)=C/CCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
SQLE Q14534 4/20 0.44
CES1 P23141 2/20 0.43
KMT2A Q03164 2/20 0.43
CES2 O00748 1/20 0.42
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
LSS P48449 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
UGT1A1 P22309 1/20 0.39

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
SCHEMBL1783919 1.00 KDM1A (0.47) KDM1ASQLECES1KMT2ACES2
SCHEMBL11553048 0.98 KDM1A (0.50) KDM1ASQLECES1KMT2ACES2
SCHEMBL11553059 0.98 KDM1A (0.50) KDM1ASQLECES1KMT2ACES2
SCHEMBL10899279 0.94 KDM1A (0.46) KDM1ASQLECES1KMT2ACES2
SCHEMBL10899276 0.94 KDM1A (0.46) KDM1ASQLECES1KMT2ACES2
SCHEMBL31181890 0.92 EP300 (0.44) KDM1ASQLEKMT2AATMPOLB
SCHEMBL28811076 0.92 CES2 (0.46) CES1KMT2ACES2ATMLSS
SCHEMBL1784245 0.86 KMT2A (0.46) KDM1ASQLEKMT2AFNTAFNTB
SCHEMBL1784243 0.86 KMT2A (0.46) KDM1ASQLEKMT2AFNTAFNTB
SCHEMBL31181881 0.86 EP300 (0.46) KMT2AATMPOLBTP53MAPT

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
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-0175427-A1 Synthesis of dioxabicyclo[3.2.1]octanes ORTHO PHARMACEUTICAL CORPORATION (US) 1986-03-26 EP disclosed
EP-0045631-A2 Synthesis of dioxabicyclo(3.2.1)octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1982-02-10 EP disclosed
US-4276216-A Synthesis of dioxabicyclo[3.2.1]octanes and oxepanes ORTHO PHARMACEUTICAL CORPORATION (US) 1981-06-30 US disclosed
US-4011335-A INSECTICIDES, HORMONE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 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 2902/4885SQLE 1861/4885CES1 1998/4885

“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.