SCHEMBL13535261

SCHEMBL13535261

CC[C@@H](O)C[C@@H](Cc1ccccc1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ CPA1 P15085 3/20 0.46
▸ CPA3 P15088 3/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ CPB1 P15086 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ ALPI P09923 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44

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
SCHEMBL11599447 0.88 CYP1A2 (0.63) CYP1A2PPARGSLC1A3SLC1A2SLC1A1
SCHEMBL21895912 0.84 CYP1A2 (0.67) CYP1A2PKMPPARGSLC1A3SLC1A2
SCHEMBL11634382 0.84 CYP1A2 (0.67) CYP1A2PKMPPARGSLC1A3SLC1A2
SCHEMBL9297390 0.83 PPARG (0.61) MAPTKDM4EALDH1A1PPARG
SCHEMBL13535263 0.83 MAPT (0.52) MAPTCYP1A2KDM4EPKMALDH1A1
SCHEMBL28040970 0.82 CYP1A2 (0.64) CYP1A2PKMPPARGSLC1A3SLC1A2
SCHEMBL497369 0.82 CYP1A2 (0.68) CYP1A2PKMSLC1A3SLC1A2SLC1A1
SCHEMBL28126947 0.81 CYP1A2 (0.57) CYP1A2CPA1ACE
SCHEMBL4724923 0.80 CYP1A2 (0.65) CYP1A2PKMSLC1A3SLC1A2SLC1A1
SCHEMBL40705 0.80 CYP1A2 (0.65) CYP1A2PKMSLC1A3SLC1A2SLC1A1

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MAPT 1076/4885CYP1A2 4360/4885KDM4E 3256/4885

“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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