SCHEMBL1782964

SCHEMBL1782964

CC(C)CC(C)CCCCC=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
FAAH O00519 2/20 0.37
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1784324 0.93 HIF1A (0.48) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL20362635 0.89 HIF1A (0.43) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL10081315 0.85 TSHR (0.48) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL1784052 0.85 HIF1A (0.40) HIF1ATSHRADH1BADH1CADH1A
SCHEMBL15149582 0.83 TSHR (0.52) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL18092218 0.82 LMNA (0.64) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL16557385 0.81 TSHR (0.46) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL16557382 0.81 TSHR (0.46) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL16557222 0.81 TSHR (0.46) HIF1ATSHRLMNATRPV1FAAH
SCHEMBL383419 0.81 TSHR (0.46) HIF1ATSHRLMNATRPV1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501536-B2 Odorant compounds, synthesis method, and uses of said compounds V. MANE FILS (FR) 2009-03-10 US claimed
EP-1838652-B1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS MANE FILS V (FR) 2009-02-25 EP claimed
US-20080118443-A1 Novel Odorant Compounds, Synthesis Method, and Uses of Said Compounds V. MANE FILS (FR) 2008-05-22 US claimed
EP-1838652-A1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS V. Mane Fils (FR) 2007-10-03 EP claimed
WO-2006077305-A1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS V.MANE FILS (FR) 2006-07-27 WO claimed
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
US-7501536-B2 Odorant compounds, synthesis method, and uses of said compounds V. MANE FILS (FR) 2009-03-10 US disclosed
US-7501536-B2 Odorant compounds, synthesis method, and uses of said compounds V. MANE FILS (FR) 2009-03-10 US disclosed
US-7501536-B2 Odorant compounds, synthesis method, and uses of said compounds V. MANE FILS (FR) 2009-03-10 US disclosed
EP-1838652-B1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS MANE FILS V (FR) 2009-02-25 EP disclosed
EP-1838652-B1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS MANE FILS V (FR) 2009-02-25 EP disclosed
US-20080118443-A1 Novel Odorant Compounds, Synthesis Method, and Uses of Said Compounds V. MANE FILS (FR) 2008-05-22 US disclosed
US-20080118443-A1 Novel Odorant Compounds, Synthesis Method, and Uses of Said Compounds V. MANE FILS (FR) 2008-05-22 US disclosed
US-20080118443-A1 Novel Odorant Compounds, Synthesis Method, and Uses of Said Compounds V. MANE FILS (FR) 2008-05-22 US disclosed
EP-1838652-A1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS V. Mane Fils (FR) 2007-10-03 EP disclosed
WO-2006077305-A1 NOVEL ODORANT COMPOUNDS, SYNTHESIS METHOD, AND USES OF SAID COMPOUNDS V.MANE FILS (FR) 2006-07-27 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 (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 HIF1A 1980/4885TSHR 2479/4885LMNA 1708/4885
US-20080118443-A1 Novel Odorant Compounds, Synthesis Method, and Uses of Said Compounds ODC1, AOX1, AOC2 HIF1A 2512/4885TSHR 3910/4885LMNA 2423/4885

“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.