SCHEMBL10024243

SCHEMBL10024243

Cc1cc(-c2ccc(C#N)cc2)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.54
RXRA P19793 1/20 0.53
XDH P47989 3/20 0.51
SLC22A12 Q96S37 3/20 0.51
RARB P10826 1/20 0.51
MCL1 Q07820 2/20 0.46
PTGER4 P35408 1/20 0.45
MAP4K4 O95819 1/20 0.45
MMP3 P08254 3/20 0.44
MMP2 P08253 3/20 0.43
PRSS12 P56730 2/20 0.43
MMP1 P03956 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
HNF4A P41235 1/20 0.42
ACMSD Q8TDX5 1/20 0.42

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
SCHEMBL289026 0.86 XDH (0.49) RXRBRXRAXDHSLC22A12
SCHEMBL29771992 0.84 RXRB (0.70) RXRBRXRARARBMCL1HNF4A
SCHEMBL1498034 0.84 RXRB (0.70) RXRBRXRARARBMCL1HNF4A
Hydrochloric Acid SCHEMBL4365452 0.82 RXRB (0.68) RXRBRXRARARBMCL1HNF4A
Hydrochloric Acid SCHEMBL9150803 0.82 RXRB (0.68) RXRBRXRARARBMCL1HNF4A
SCHEMBL28246462 0.81 MCL1 (0.50) XDHSLC22A12MCL1PTGER4MAP4K4
SCHEMBL13522888 0.80 ACMSD (0.63) RXRBRXRARARBMCL1HNF4A
SCHEMBL8840571 0.80 MCL1 (0.65) RXRBRXRAXDHSLC22A12RARB
SCHEMBL122517 0.80 ACMSD (0.63) RXRBRXRARARBMCL1HNF4A
SCHEMBL8960674 0.80 RXRB (0.62) RXRBRXRARARBMCL1

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-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 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-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 RXRB 3198/4885RXRA 3267/4885XDH 1134/4885

“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.