SCHEMBL5513089

SCHEMBL5513089

CCC=C(OC(=CCC)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 2/20 0.38
ELANE P08246 1/20 0.38
ESR1 P03372 2/20 0.37
CYP19A1 P11511 1/20 0.37
ESR2 Q92731 1/20 0.37
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKT1 P31749 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL5513078 1.00 ATM (0.43) ATMCES2CES1LMNAELANE
SCHEMBL7128884 0.88 CES1 (0.46) ATMCES2CES1LMNAELANE
SCHEMBL9333558 0.87 CES1 (0.44) ATMCES2CES1LMNAELANE
SCHEMBL9333553 0.87 CES1 (0.44) ATMCES2CES1LMNAELANE
SCHEMBL5085213 0.85 TSHR (0.43) ATMCES2CES1LMNAPRSS1
SCHEMBL23152624 0.83 ATM (0.36) ATMCES2CES1LMNAELANE
SCHEMBL2090769 0.83 MEN1 (0.43) LMNATSHRMAPTMAPK1SMN1; SMN2
SCHEMBL22333681 0.83 MEN1 (0.43) LMNATSHRMAPTMAPK1SMN1; SMN2
SCHEMBL817342 0.80 MTNR1A (0.35) ATMCES2CES1LMNAELANE
SCHEMBL3962524 0.76 ATM (0.45) ATMCES2CES1ESR1CYP19A1

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-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-0546997-A1 Radiation-sensitive polymer OCG Microelectronic Materials Inc. (US) 1993-06-16 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 ATM 1272/4885CES2 852/4885CES1 1607/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ATM 1272/4885CES2 852/4885CES1 1607/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 ATM 1533/4885CES2 2992/4885CES1 2177/4885

“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.