SCHEMBL12106926

SCHEMBL12106926

CCC1(CC)c2cc(C(=O)O)c(C(=O)O)cc2C(CC)(CC)N1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL1325162 0.78 CFD (0.33) RXRATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL1298306 0.75 BLM (0.39) TSHRHSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL14392624 0.71 MEN1 (0.44) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL12104378 0.70 RXRA (0.35) RXRAHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL3973917 0.67 GLA (0.32) RXRATSHRHSD17B10GABRPGABRD
Pyromellitic Acid SCHEMBL21599248 0.67 GABRP (0.42) TSHRHSD17B10GABRPGABRDGABRA1
Pyromellitic Acid SCHEMBL15005172 0.67 GABRP (0.42) TSHRHSD17B10GABRPGABRDGABRA1
SCHEMBL3280425 0.66 RXRA (0.33) RXRATSHRHSD17B10GABRPGABRD
SCHEMBL4116012 0.65 GABRP (0.50) RXRATSHRHSD17B10GABRPGABRD
Pyromellitic Acid SCHEMBL27586566 0.63 GABRP (0.39) TSHRHSD17B10GABRPGABRDGABRA1

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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 US disclosed
WO-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 RXRA 916/4885TSHR 4251/4885HSD17B10 1074/4885

“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.