SCHEMBL5076304

SCHEMBL5076304

CC(=O)OCC=CC[PH](c1ccccc1)(c1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
AKT1 P31749 1/20 0.32
TK1 P04183 2/20 0.32
TSHR P16473 2/20 0.31
MTNR1A P48039 4/20 0.31
MTNR1B P49286 4/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5076302 1.00 ALDH1A1 (0.39) ALDH1A1AKT1TK1TSHRMTNR1A
SCHEMBL5076288 0.82 ALDH1A1 (0.43) ALDH1A1AKT1TK1TSHRMAPT
SCHEMBL5076286 0.82 ALDH1A1 (0.43) ALDH1A1AKT1TK1TSHRMAPT
SCHEMBL6915714 0.76 ALDH1A1 (0.38) ALDH1A1AKT1TK1
SCHEMBL5076230 0.72 ALDH1A1 (0.35) ALDH1A1TSHRCHRM2CHRM1MAPT
SCHEMBL5076228 0.72 ALDH1A1 (0.35) ALDH1A1TSHRCHRM2CHRM1MAPT
SCHEMBL5507266 0.70 AOC3 (0.55) ALDH1A1MTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL10325277 0.70 ALDH1A1 (0.56) ALDH1A1L3MBTL1
SCHEMBL5507267 0.70 AOC3 (0.55) ALDH1A1MTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL10325275 0.70 ALDH1A1 (0.56) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423168-B2 Reacting allyl starting compound with oxygen nucleophilic agent in presence of transition metal catalyst and monodentate phosphite MITSUBISHI CHEMICAL CORPORATION (JP) 2008-09-09 US disclosed
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-20040092777-A1 Method for producing allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-13 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 1665/4885AKT1 613/4885TK1 1669/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 ALDH1A1 636/4885AKT1 557/4885TK1 954/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 ALDH1A1 790/4885AKT1 246/4885TK1 1280/4885

“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.