SCHEMBL5510607

SCHEMBL5510607

C=CC(COCCCC)OCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 3/20 0.35
HTT P42858 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
HPGD P15428 1/20 0.34
CYP3A4 P08684 2/20 0.34
SPHK1 Q9NYA1 1/20 0.33
TLR2 O60603 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL7591541 0.94 USP2 (0.43) LPAR1LPAR3LPAR2USP2HTT
SCHEMBL1524214 0.94 TSHR (0.35) LPAR1LPAR3LPAR2TSHRHPGD
SCHEMBL1524212 0.86 USP2 (0.37) LPAR1LPAR3LPAR2USP2TSHR
SCHEMBL24207974 0.85 LPAR1 (0.48) LPAR1LPAR3
SCHEMBL8744161 0.83 HSD17B10 (0.41) USP2
SCHEMBL16562014 0.80 LPAR1 (0.40) LPAR1LPAR3LPAR2USP2TSHR
SCHEMBL10592014 0.79 TSHR (0.36) TSHRHPGD
SCHEMBL12396640 0.78 TSHR (0.34) LPAR1LPAR3TSHRHPGD
SCHEMBL7524133 0.78 ALDH1A1 (0.40) USP2TSHRHPGD
SCHEMBL12286790 0.78 TSHR (0.35) TSHRHPGD

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 10 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
EP-0612720-B1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1997-01-08 EP disclosed
US-5463103-A Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
CN-1104630-A Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1995-07-05 CN disclosed
EP-0612720-A1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-31 EP 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 LPAR1 4287/4885LPAR3 4410/4885LPAR2 4179/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 LPAR1 4287/4885LPAR3 4410/4885LPAR2 4179/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 LPAR1 2754/4885LPAR3 2619/4885LPAR2 3535/4885

“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.