SCHEMBL13534998

SCHEMBL13534998

CCCc1ccc(OCC(=O)O)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ PTPN7 P35236 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.42

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
SCHEMBL16421193 0.87 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL18763952 0.79 NQO1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL21949349 0.79 ALDH1A1 (0.44) ALDH1A1TSHRALOX15PPARGPPARA
SCHEMBL9314216 0.78 SMN1; SMN2 (0.44) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL18591898 0.76 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2ALOX15PPARG
SCHEMBL29416383 0.76 ALOX15 (0.52) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL2435587 0.76 ALOX15 (0.52) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL12612087 0.76 LMNA (0.60) ALDH1A1TSHRSMN1; SMN2ALOX15PPARG
SCHEMBL18851549 0.75 MCHR1 (0.43) ALDH1A1ALOX15MAPT
SCHEMBL10239026 0.75 MCHR1 (0.35) ALDH1A1ALOX15FFAR1

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 ALDH1A1 3337/4885TSHR 4782/4885SMN1; SMN2 3324/4885

“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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