SCHEMBL5074244

SCHEMBL5074244

C(=CC[PH](c1ccccc1)(C1CCCCC1)C1CCCCC1)C[PH](c1ccccc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
G6PC1 P35575 1/20 0.33
EPHX2 P34913 2/20 0.31
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL5076230 0.82 ALDH1A1 (0.35)
SCHEMBL5076228 0.82 ALDH1A1 (0.35)
SCHEMBL27518225 0.74 BCHE (0.33) EPHX2
SCHEMBL23563764 0.71 IDO1 (0.34) KDM4EEPHX2GAA
SCHEMBL2445014 0.71 IDO1 (0.34) KDM4EEPHX2GAA
SCHEMBL19407778 0.71 IDO1 (0.34) KDM4EEPHX2POLBGAA
SCHEMBL67450 0.71 IDO1 (0.34) KDM4EEPHX2POLBGAA
SCHEMBL1500528 0.71 IDO1 (0.34) KDM4EEPHX2POLBGAA
SCHEMBL3674285 0.71 IDO1 (0.34) KDM4EEPHX2GAA
Bromide SCHEMBL5723432 0.70 IDO1 (0.33) KDM4EEPHX2GAA

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 8 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-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 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 (4 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 KDM4E 2098/4885G6PC1 2184/4885EPHX2 196/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 KDM4E 2098/4885G6PC1 2184/4885EPHX2 196/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 KDM4E 4280/4885G6PC1 1551/4885EPHX2 1192/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 KDM4E 2212/4885G6PC1 2729/4885EPHX2 2174/4885

“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.