SCHEMBL6721063

SCHEMBL6721063

COc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 4/20 0.66
HPGD P15428 3/20 0.66
HSD17B10 Q99714 3/20 0.66
RXFP1 Q9HBX9 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
HTT P42858 1/20 0.65
PTGES O14684 2/20 0.65
TP53 P04637 2/20 0.65
AGPAT2 O15120 3/20 0.64
POLB P06746 3/20 0.62
THRB P10828 2/20 0.59
PTGS2 P35354 1/20 0.58
USP2 O75604 1/20 0.57
GAA P10253 1/20 0.57
PPARG P37231 1/20 0.57

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
SCHEMBL4523694 0.90 PTGES (0.81) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4522223 0.85 PTGES (0.82) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL3457640 0.82 MAPT (0.86) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2244666 0.82 MAPT (0.86) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4516984 0.81 PTGES (0.62) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4510048 0.80 PTGES (0.77) MAPTPTGESTP53AGPAT2
SCHEMBL3140942 0.79 PTGES (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17544299 0.79 MAPT (0.85) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30403020 0.79 MAPT (0.85) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4516675 0.79 PTGES (0.87) MAPTPTGESTP53AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAPT 2174/4885ALDH1A1 265/4885KDM4E 1795/4885

“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.