SCHEMBL14269440

SCHEMBL14269440

COc1cc(/C(=C2\C=CC(=O)C(C(=O)O)=C2)c2ccc(O)c(C(=O)O)c2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C9 P02748 3/20 0.80
▸ CYP1A2 P05177 3/20 0.80
▸ MEN1 O00255 3/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ CYP2D6 P10635 2/20 0.80
▸ CYP2C9 P11712 2/20 0.80
▸ APEX1 P27695 2/20 0.80
▸ CYP2C19 P33261 2/20 0.80
▸ HIF1A Q16665 2/20 0.80
▸ BLM P54132 2/20 0.80
▸ CTH P32929 2/20 0.80
▸ KDM4E B2RXH2 2/20 0.80
▸ POLB P06746 2/20 0.80
▸ MAPT P10636 2/20 0.80
▸ L3MBTL1 Q9Y468 2/20 0.80
▸ IKBKB O14920 1/20 0.80
▸ RGS12 O14924 1/20 0.80
▸ GMNN O75496 1/20 0.80
▸ USP2 O75604 1/20 0.80
▸ ALDH1A1 P00352 1/20 0.80

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
Aurintricarboxylic Acid SCHEMBL29353681 0.89 MEN1 (1.00) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL98495 0.89 MEN1 (1.00) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL29450069 0.89 MEN1 (1.00) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL29395768 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL515038 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL30831678 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL6158321 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL4644958 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL15874321 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6
Aurintricarboxylic Acid SCHEMBL10791075 0.88 MEN1 (0.97) C9CYP1A2MEN1KMT2ACYP2D6

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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE C9 4073/4885CYP1A2 4127/4885MEN1 4347/4885

“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.

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