SCHEMBL13321963

SCHEMBL13321963

C=CCc1c(C)ccc(C=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
ERN1 O75460 4/20 0.37
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
SRD5A1 P18405 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAOB P27338 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TRIM24 O15164 1/20 0.32
TYR P14679 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL19124361 0.86 ERN1 (0.39) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3957273 0.82 SRD5A1 (0.45) KDM4EGAAERN1ALDH1A1SRD5A1
SCHEMBL8316943 0.81 GABRA1 (0.39) KDM4EGAAGLAALDH1A1SRD5A1
SCHEMBL15086598 0.80 ERN1 (0.41) KDM4EERN1TLR2TLR1TLR6
SCHEMBL22297592 0.79 ERN1 (0.38) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3333141 0.79 ERN1 (0.50) KDM4EERN1TLR2TLR1TLR6
SCHEMBL1053052 0.78 XDH (0.42) KDM4EGAAGLAALDH1A1SRD5A1
SCHEMBL15086604 0.78 ERN1 (0.38) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL19123886 0.77 ERN1 (0.38) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL29829217 0.77 GABRA1 (0.48) KDM4EGAAGLAALDH1A1GABRA1

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-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 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-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 KDM4E 2754/4885GAA 2463/4885GLA 2446/4885

“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.