SCHEMBL486953

SCHEMBL486953

CCCCCC/C=C\C1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 3/20 0.38
MGLL Q99685 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 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
SCHEMBL486954 1.00 ALDH1A1 (0.38) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL486952 1.00 ALDH1A1 (0.38) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL9278970 0.98 FAAH (0.39) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL120122 0.95 ALDH1A1 (0.39) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL1771016 0.95 ALDH1A1 (0.39) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL20853080 0.95 ALDH1A1 (0.39) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL119856 0.95 ALDH1A1 (0.39) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL28779856 0.94 CA1 (0.37) ALDH1A1TSHRFAAHMGLLCA1
SCHEMBL27771224 0.94 FAAH (0.40) ALDH1A1TSHRFAAHMGLLTRPV1
SCHEMBL2421576 0.89 FAAH (0.34) ALDH1A1TSHRFAAHMGLLCA1

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
EP-1178031-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE DAICEL CHEM (JP) 2012-02-01 EP disclosed
US-6548713-B2 Efficiently producing a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, by catalytic radical addition reaction with compound of Group 5,6,7,8, or 9 DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-07 US disclosed
EP-1178031-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE Daicel Chemical Industries, Ltd. (JP) 2002-02-06 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 (1 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-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like SOD1, CAT, SOD3 ALDH1A1 1198/4885TSHR 1204/4885FAAH 3968/4885

“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.