SCHEMBL5514589

SCHEMBL5514589

C=CC(COC(C)=O)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 5/20 0.44
HPGD P15428 2/20 0.44
ATM Q13315 1/20 0.39
PRKCA P17252 3/20 0.39
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1524214 0.78 TSHR (0.35) ALDH1A1TSHRHPGD
SCHEMBL28332117 0.77 ALDH1A1 (0.59) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL13224996 0.77 ALDH1A1 (0.59) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL5510607 0.77 LPAR1 (0.37) TSHRHPGDPRKCAUSP2CYP3A4
SCHEMBL5514403 0.77 PLA2G2C (0.43) ALDH1A1TSHRHPGDUSP2CYP3A4
SCHEMBL93559 0.76 TDP1 (0.48) ALDH1A1TSHRHPGDPRKCAUSP2
SCHEMBL93558 0.76 TDP1 (0.48) ALDH1A1TSHRHPGDPRKCAUSP2
SCHEMBL7389478 0.76 ALDH1A1 (0.53) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL8931088 0.75 ALDH1A1 (0.57) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL8735437 0.75 ALDH1A1 (0.57) ALDH1A1TSHRHPGDATMPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241857-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-10 US disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 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 (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-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ALDH1A1 1665/4885TSHR 4449/4885HPGD 1138/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ALDH1A1 1665/4885TSHR 4449/4885HPGD 1138/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 ALDH1A1 790/4885TSHR 3258/4885HPGD 3817/4885

“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.