SCHEMBL14259871

SCHEMBL14259871

CCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(OC2OC(COC(=O)/C=C\c3ccc(O)c(OC)c3)C(O)C(O)C2O)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.75
▸ CA12 O43570 3/20 0.66
▸ CA4 P22748 3/20 0.66
▸ CA7 P43166 3/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ TYR P14679 1/20 0.66
▸ CA2 P00918 2/20 0.65
▸ KDM4E B2RXH2 3/20 0.62
▸ POLB P06746 3/20 0.62
▸ GAA P10253 3/20 0.62
▸ APEX1 P27695 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ EPHX2 P34913 2/20 0.58
▸ P4HB P07237 2/20 0.57
▸ SYNJ2 O15056 1/20 0.57
▸ ALPL P05186 1/20 0.56
▸ ALPI P09923 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RECQL P46063 1/20 0.56

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
SCHEMBL14259870 0.90 AKR1B1 (0.67) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL31337090 0.88 AKR1B1 (0.89) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL14613942 0.88 AKR1B1 (0.77) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL27062116 0.88 AKR1B1 (0.69) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL27062124 0.88 AKR1B1 (0.69) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL18307145 0.88 AKR1B1 (0.69) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL18307185 0.88 AKR1B1 (0.69) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL30186765 0.86 AKR1B1 (0.76) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL18307158 0.85 AKR1B1 (0.65) AKR1B1CA12CA4CA7CYP3A4
SCHEMBL18307172 0.85 AKR1B1 (0.65) AKR1B1CA12CA4CA7CYP3A4

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 AKR1B1 3123/4885CA12 4829/4885CA4 4662/4885

“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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