SCHEMBL4663100

SCHEMBL4663100

COc1ccccc1CCC(=O)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ABCB1 P08183 1/20 0.40
NR0B1 P51843 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4664903 0.86 NPC1 (0.52) TAAR1ALDH1A1NR0B1MEN1KMT2A
SCHEMBL4665011 0.84 SMN1; SMN2 (0.45) ALDH1A1NR0B1MEN1KMT2AALOX5
SCHEMBL4662985 0.83 RAB9A (0.46) ALDH1A1NPC1RAB9A
SCHEMBL4666680 0.82 PLAAT3 (0.51) HPGDALDH1A1KMT2AALOX5LMNA
SCHEMBL4664915 0.81 NPC1 (0.48) ALDH1A1NR0B1MEN1KMT2AALOX5
SCHEMBL4666721 0.78 GPR84 (0.41) ALDH1A1NR0B1MEN1KMT2ALMNA
SCHEMBL4244260 0.78 KMT2A (0.54) ALDH1A1NR0B1MEN1KMT2ALMNA
SCHEMBL4666733 0.78 CDK4 (0.47) HPGDTAAR1ALDH1A1MEN1KMT2A
SCHEMBL4664683 0.78 NR0B1 (0.45) ALDH1A1NR0B1MEN1KMT2ALMNA
SCHEMBL4241441 0.76 NR0B1 (0.48) ALDH1A1NR0B1MEN1KMT2ALMNA

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 HPGD 4570/4885TAAR1 500/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HPGD 4570/4885TAAR1 500/4885ALDH1A1 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.