SCHEMBL5820169

SCHEMBL5820169

CC1CC(=O)c2ccccc2C1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL916737 0.79 ALDH1A1 (0.53) EDNRBEDNRAALDH1A1KDM4EMEN1
SCHEMBL28850201 0.79 ALDH1A1 (0.53) EDNRBEDNRAALDH1A1KDM4EMEN1
SCHEMBL4508527 0.77 TSHR (0.40) EDNRBEDNRAALDH1A1LMNACYP1A2
SCHEMBL14143066 0.77 TSHR (0.40) EDNRBEDNRAALDH1A1LMNACYP1A2
SCHEMBL27952654 0.77 S100A4 (0.41) EDNRBEDNRAALDH1A1KDM4ECYP3A4
SCHEMBL6660374 0.74 EDNRA (0.42) EDNRBEDNRAALDH1A1KMT2APOLB
SCHEMBL15107233 0.74 GLS (0.46) EDNRBEDNRAALDH1A1MEN1KMT2A
SCHEMBL5593897 0.73 POLB (0.52) EDNRBEDNRACYP1A2MEN1KMT2A
SCHEMBL9367273 0.72 ACHE (0.48) ALDH1A1KDM4E
SCHEMBL9372008 0.72 ACHE (0.48) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof ABBOTT LABORATORIES 2006-12-07 US disclosed
WO-2006110516-A1 ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2006-10-19 WO 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-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof P2RX7, P2RX3, P2RX1 EDNRB 397/4885EDNRA 326/4885ALDH1A1 1492/4885

“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.