SCHEMBL1072989

SCHEMBL1072989

COC/C=C(\C)CC/C=C(\C)C=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
FNTA P49354 5/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 2/20 0.41
KMT2A Q03164 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
GGPS1 O95749 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1072991 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL30341972 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL1070992 0.81 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11785322 0.81 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL1070989 0.81 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL6925260 0.81
SCHEMBL6925258 0.81
SCHEMBL29586651 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL13288245 0.80 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL356732 0.79 KMT2A (0.62) ALDH1A1ALOX15FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797953-B1 PROCESS FOR PRODUCING OXYGENIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-01-05 EP disclosed
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 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 (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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT ALDH1A1 36/4885ALOX15 312/4885FNTA 3062/4885
US-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 ALDH1A1 863/4885ALOX15 76/4885FNTA 3001/4885

“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.