SCHEMBL1659019

SCHEMBL1659019

CCCC(C)(C)CCCCO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL1658863 0.97 LMNA (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1658327 0.97 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1657812 0.90 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1658296 0.90 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL6448246 0.89 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL31339077 0.87 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL588498 0.87 LMNA (0.57) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1658861 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL15297874 0.86 TDP1 (0.46) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL20438002 0.86 TDP1 (0.46) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101613427-B Method for preparing polyisobutylene with high reaction activity UNIV BEIJING CHEMICAL 2011-04-20 CN claimed
CN-101613427-A The preparation method of high-activity polyisobutylene UNIV BEIJING CHEMICAL 2009-12-30 CN claimed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-20120225983-A1 ADHESIVES AND SEALANTS COMPRISING ESTERS BASED ON 2-PROPYLHEPTANOL BASF SE (DE) 2012-09-06 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 US disclosed
CN-101955558-A Initiating system for preparing high-reaction activity polyisobutene and copolymer of polyisobutene UNIV BEIJING CHEMICAL 2011-01-26 CN disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7291748-B2 C10/C7 ester mixtures based on 2-propylheptanol BASF CORPORATION (US) 2007-11-06 US disclosed
US-20070027242-A1 C10/C7 ester mixtures based on 2-propylheptanol BASF CORPORATION 2007-02-01 US disclosed
EP-0804397-A1 OXYGENATES AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022264-A1 OXYGENATES AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 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 (3 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 SMN1; SMN2 2144/4885ALDH1A1 520/4885LMNA 1708/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SMN1; SMN2 2797/4885ALDH1A1 685/4885LMNA 1727/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SMN1; SMN2 2797/4885ALDH1A1 685/4885LMNA 1727/4885

“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.