SCHEMBL5518971

SCHEMBL5518971

OCC/C=C/C/C=C/CCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.35
CNR1 P21554 3/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
KCNK3 O14649 1/20 0.32
CNR2 P34972 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MGLL Q99685 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
SCHEMBL5518975 1.00 CA1 (0.39) CA1CA9ALDH1A1CNR1FFAR1
SCHEMBL11404169 0.88
SCHEMBL213841 0.88
SCHEMBL213842 0.88
SCHEMBL1245776 0.85 ALDH1A1 (0.54) ALDH1A1CNR1FFAR1MAPTCYP19A1
SCHEMBL19920999 0.85 ALDH1A1 (0.54) ALDH1A1CNR1FFAR1MAPTCYP19A1
SCHEMBL88350 0.85 ALDH1A1 (0.54) ALDH1A1CNR1FFAR1MAPTCYP19A1
SCHEMBL22245880 0.85 TSHR (0.35) CA1CA9ALDH1A1CNR1
SCHEMBL21052414 0.85 ALDH1A1 (0.54) ALDH1A1CNR1FFAR1MAPTCYP19A1
SCHEMBL88349 0.85 ALDH1A1 (0.54) ALDH1A1CNR1FFAR1MAPTCYP19A1

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 4 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-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-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 (2 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 CA1 282/4885CA9 64/4885ALDH1A1 1665/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 CA1 282/4885CA9 64/4885ALDH1A1 1665/4885

“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.