SCHEMBL1782669

SCHEMBL1782669

CCC(C)C(C)CCCC=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
HIF1A Q16665 1/20 0.41
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1783246 0.93 TSHR (0.46) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL1782481 0.86 TSHR (0.52) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL1787215 0.85 ALDH1A1 (0.41) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL1784414 0.80 HIF1A (0.45) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL17143811 0.78
SCHEMBL231192 0.78
SCHEMBL1781742 0.76 TSHR (0.52) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL29273148 0.76 TSHR (0.46) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL6861914 0.76 TSHR (0.52) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL11765070 0.76 LMNA (0.31) TSHRSMN1; SMN2

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 11 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
CN-101583587-B Process for preparing polyalcohols from formaldehyde with a low formic acid content BASF SE 2012-08-08 CN disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
CN-101583587-A Process for preparing polyalcohols from formaldehyde with a low formic acid content BASF SE (DE) 2009-11-18 CN disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7462747-B2 of by-products can advantageously be prevented in a targeted manner and the yield of the desired polymethylol compound can thereby be increased; condensing an aldehyde with formaldehyde in an aldol reaction to form an alkanal, hydrogenating the alkanal BASF AKTIENGESELLSCHAFT (DE) 2008-12-09 US disclosed
US-20080167506-A1 of by-products can advantageously be prevented in a targeted manner and the yield of the desired polymethylol compound can thereby be increased; condensing an aldehyde with formaldehyde in an aldol reaction to form an alkanal, hydrogenating the alkanal BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US 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-20080167506-A1 of by-products can advantageously be prevented in a targeted manner and the yield of the desired polymethylol compound can thereby be increased; condensing an aldehyde with formaldehyde in an aldol reaction to form an alkanal, hydrogenating the alkanal ASH2L, AKR7A2, HACL2 TSHR 4634/4885HIF1A 1662/4885FAAH 106/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TSHR 2479/4885HIF1A 1980/4885FAAH 94/4885

“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.