SCHEMBL4664890

SCHEMBL4664890

O=C1C=C(O)C(CCc2ccccc2)N1C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.40
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.37
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL4663361 0.76 KLK7 (0.52)
SCHEMBL29056163 0.73 AKR1C3 (0.38) ALDH1A1TSHR
SCHEMBL11030839 0.69 SLC18A2 (0.40)
SCHEMBL14548187 0.65 FAAH (0.45)
SCHEMBL7814243 0.64 POLB (0.54) POLBALDH1A1S1PR1S1PR5
SCHEMBL1643401 0.63 MTNR1B (0.48) MTNR1BPOLB
SCHEMBL10994286 0.63 ALDH1A1 (0.55) ALDH1A1BLMHTR2AMEN1TSHR
SCHEMBL1642186 0.62 FASN (0.41) ALDH1A1
SCHEMBL13150784 0.62 MEN1 (0.64) ALDH1A1BLMHTR2AMEN1TSHR
SCHEMBL27109144 0.62 KEAP1 (0.57) POLBALDH1A1MEN1KMT2A

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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 MTNR1B 873/4885POLB 1560/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MTNR1B 873/4885POLB 1560/4885ALDH1A1 2826/4885

“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.