SCHEMBL13989031

SCHEMBL13989031

C=Cc1cc(C(=O)O)cc(C=C)c1/N=C(C)/C(C)=N/c1c(C(C)C)cc(C(=O)O)cc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A8 Q8TCC7 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
ACE2 Q9BYF1 2/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL13988858 0.87 FABP3 (0.40) THRATHRBACE2FABP3FABP4
SCHEMBL28218640 0.72 FABP3 (0.41) THRATHRBACE2FABP3FABP4
SCHEMBL11928590 0.68 LMNA (0.34) GABRA1GABRB1
SCHEMBL11928858 0.68 LMNA (0.34) GABRA1GABRB1
SCHEMBL13989036 0.67 GABRA1 (0.38) THRBGABRA1GABRB1
SCHEMBL13609861 0.66 LMNA (0.35) GABRA1GABRB1
SCHEMBL13988855 0.65 TPMT (0.46)
Isopropyl Alcohol SCHEMBL28142316 0.65 GABRA1 (0.59) THRATHRBFABP3FABP4GABRA1
SCHEMBL4319072 0.64 GABRA1 (0.63) THRATHRBFABP3FABP4GABRA1
SCHEMBL29054130 0.63 FABP3 (0.45) THRATHRBACE2FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306315-A1 Metal-Organic Framework Catalysts and Their Use in Hydrocarbon Transformation UNIVERSITETET I OSLO (NO) 2008-12-11 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 (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-20080306315-A1 Metal-Organic Framework Catalysts and Their Use in Hydrocarbon Transformation POF1B, PMS2, IDH1 SLC22A8 855/4885SLC22A6 1667/4885THRA 4660/4885

“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.