SCHEMBL12870534

SCHEMBL12870534

CC(C)Cc1ccc2[nH]c(CC(C)C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.42
GPR84 Q9NQS5 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
XDH P47989 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTR2A P28223 2/20 0.36
AKR1C3 P42330 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 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
SCHEMBL7974481 0.83 PPARG (0.55) MAPTKMT2AMEN1PTGS1PTGS2
SCHEMBL6117237 0.81 LOXL2 (0.62) LOXL2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL25146561 0.79 HTR2A (0.45) LOXL2HTR2AHTR2CHTR2B
SCHEMBL15902409 0.78 LOXL2 (0.67) LOXL2MAPTKMT2AMEN1LMNA
SCHEMBL9027554 0.78 LOXL2 (0.58) LOXL2
SCHEMBL23665119 0.77 PARP1 (0.51) LOXL2GPR84GABRA1GABRB2XDH
SCHEMBL19386408 0.76 CA12 (0.54) GPR84GABRA1GABRB2XDHMAPT
SCHEMBL30114885 0.76 CA12 (0.54) GPR84GABRA1GABRB2XDHMAPT
SCHEMBL28292686 0.74 HTR2A (0.57) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL2596774 0.73 KMT2A (0.48) GPR84GABRA1GABRB2XDHMAPT

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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 LOXL2 3933/4885GPR84 36/4885GABRA1 905/4885

“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.