SCHEMBL4662985

SCHEMBL4662985

COc1cccc(CCC(=O)C2=C(O)C(CCc3ccccc3)NC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
DAO P14920 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GLA P06280 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
FFAR1 O14842 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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 0.90 NPC1 (0.52) RAB9AGAANPC1ALDH1A1FFAR1
SCHEMBL4666721 0.87 GPR84 (0.41) RAB9AGAANPC1CASP3CASP7
SCHEMBL4666680 0.82 PLAAT3 (0.51) RAB9ANPC1ALDH1A1
SCHEMBL4664915 0.81 NPC1 (0.48) RAB9ANPC1CASP3ALDH1A1HDAC1
SCHEMBL4664694 0.80 CDC25B (0.48) RAB9AGAANPC1CASP3CASP7
SCHEMBL4244260 0.78 KMT2A (0.54) ALDH1A1
SCHEMBL4664683 0.78 NR0B1 (0.45) ALDH1A1
SCHEMBL4665011 0.77 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL4241441 0.76 NR0B1 (0.48) ALDH1A1
SCHEMBL6503898 0.76 PTGS2 (0.46)

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 RAB9A 788/4885GAA 70/4885NPC1 1709/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 RAB9A 788/4885GAA 70/4885NPC1 1709/4885

“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.