SCHEMBL469916

SCHEMBL469916

CCCOc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.50
▸ RARB P10826 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ACACA Q13085 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL11969670 0.88 ACACB (0.65) ACACBLMNAALDH1A1PLK1L3MBTL1
SCHEMBL16933650 0.86 KDM4E (0.47) RARBLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL15577827 0.85 KDM4E (0.52) RARBLMNAALDH1A1PPARGPPARD
SCHEMBL7753233 0.82 NQO1 (0.52) LMNAALDH1A1PLK1SMN1; SMN2
SCHEMBL28560657 0.80 SMN1; SMN2 (0.50) LMNAALDH1A1PLK1SMN1; SMN2
SCHEMBL4065254 0.80 ELANE (0.55) ACACBRARBLMNAALDH1A1PLK1
SCHEMBL15579354 0.78 PRKAB2 (0.47) LMNAALDH1A1PPARGPPARDPPARA
SCHEMBL15579259 0.78 PRKAB2 (0.49) LMNAALDH1A1PPARGPPARDPPARA
SCHEMBL12001074 0.78 ACACB (0.80) ACACBALDH1A1PLK1ACACASMN1; SMN2
SCHEMBL9152649 0.77 CYP3A4 (0.63) ACACBRARBALDH1A1PLK1L3MBTL1

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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 — — WO 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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885RARB 2663/4885LMNA 2031/4885

“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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