SCHEMBL7081875

SCHEMBL7081875

C=Cc1ccc(CNc2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLK1 P53350 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDM4C Q9H3R0 3/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
CXCR2 P25025 2/20 0.40
KDM5B Q9UGL1 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL4101633 0.84 KDM4E (0.63) ALDH1A1POLBHPGDHSD17B10CTDSP1
SCHEMBL30071261 0.83 ASPH (0.47) ALDH1A1POLBHPGDHSD17B10CTDSP1
SCHEMBL4270047 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL5039469 0.75 MAPT (0.67) ALDH1A1POLBHPGDHSD17B10CTDSP1
SCHEMBL7083025 0.73 KDM4C (0.69) ALDH1A1POLBHPGDHSD17B10KDM4E
SCHEMBL13968256 0.73 PTGER1 (0.46) ALDH1A1POLBHPGDL3MBTL1KDM4E
SCHEMBL7530660 0.73 KDM4C (0.54) ALDH1A1POLBHPGDHSD17B10KDM4E
SCHEMBL11674545 0.71 KDM4E (0.54) ALDH1A1POLBHPGDHSD17B10KDM4E
SCHEMBL30491663 0.71 KDM4E (0.54) ALDH1A1POLBHPGDHSD17B10KDM4E
SCHEMBL1170364 0.71 KDM4E (0.45) ALDH1A1HPGDHSD17B10KDM4ELMNA

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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 ALDH1A1 3603/4885POLB 2081/4885HPGD 75/4885

“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.