SCHEMBL5513697

SCHEMBL5513697

CC1(C)[CH]c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RECQL P46063 4/20 0.39
MAPK1 P28482 2/20 0.39
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
EHMT2 Q96KQ7 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CA7 P43166 1/20 0.39
BACE1 P56817 1/20 0.39
CA9 Q16790 1/20 0.39
TYMS P04818 1/20 0.38
GSK3B P49841 1/20 0.37
CDC25B P30305 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL4228062 0.78 ALDH1A1 (0.42) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL7021814 0.68 ALDH1A1 (0.35) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL30800362 0.67 TYMS (0.62) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL279560 0.67 TYMS (0.62) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL7024736 0.67 TYMS (0.37) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL12856856 0.65 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL13442834 0.62 ALDH1A1 (0.48) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL25631719 0.62 L3MBTL1 (0.48) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL9575837 0.61 RECQL (0.60) ALDH1A1RECQLMAPK1ALOX12L3MBTL1
SCHEMBL3369898 0.60 ALDH1A1 (0.48) ALDH1A1RECQLMAPK1ALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1034/4885RECQL 2906/4885MAPK1 736/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ALDH1A1 1034/4885RECQL 2906/4885MAPK1 736/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ALDH1A1 864/4885RECQL 2950/4885MAPK1 609/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB ALDH1A1 711/4885RECQL 3142/4885MAPK1 441/4885

“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.