SCHEMBL5507596

SCHEMBL5507596

C[C]1Cc2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.67
▸ CES1 P23141 2/20 0.61
▸ BCHE P06276 1/20 0.61
▸ ALDH1A1 P00352 6/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ACHE P22303 2/20 0.49
▸ MIF P14174 3/20 0.48
▸ MAOB P27338 2/20 0.48
▸ TDP2 O95551 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ MAP3K14 Q99558 1/20 0.45
▸ MAPT P10636 3/20 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
Anthrone SCHEMBL18143 0.80 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL29448801 0.80 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL29357010 0.80 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL2319027 0.80 MAOA (0.90) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL1527782 0.80 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL11617600 0.80 MAOA (0.78) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL28593418 0.79 MAOA (0.86) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL13485429 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL11259824 0.78 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL22574797 0.78 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245185-B1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2019-03-13 — — EP claimed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 — — US claimed
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2005-09-22 — — US claimed
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-04-22 — — US claimed
US-6664291-B2 Aromatic amidealkyl acid or ester or amide or hydroxy derivatives are useful in the treatment of obesity, overweight condition, hyperlipidemia, glucoma, cardiac arrhythmias, thyroid disease, skin disoders and diabetes PFIZER, INC. 2003-12-16 — — US claimed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 — — US claimed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 — — US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 — — US disclosed
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2005-09-22 — — US disclosed
US-6924310-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. (US) 2005-08-02 — — US disclosed
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-04-22 — — US disclosed
US-6664291-B2 Aromatic amidealkyl acid or ester or amide or hydroxy derivatives are useful in the treatment of obesity, overweight condition, hyperlipidemia, glucoma, cardiac arrhythmias, thyroid disease, skin disoders and diabetes PFIZER, INC. 2003-12-16 — — US disclosed
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 — — EP disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 — — US disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 — — 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 (4 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-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR MAOA 1884/4885CES1 684/4885BCHE 1300/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR MAOA 1884/4885CES1 684/4885BCHE 1300/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR MAOA 1932/4885CES1 528/4885BCHE 1409/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB MAOA 1923/4885CES1 422/4885BCHE 1595/4885

“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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