SCHEMBL4965062

SCHEMBL4965062

COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C)cc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.48
RORC P51449 3/20 0.48
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 6/20 0.42
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL6435329 0.89 THRB (0.44) THRBRORCMAPTALDH1A1HTT
SCHEMBL5327698 0.86 RORC (0.62) THRBRORCMAPTLMNASMN1; SMN2
SCHEMBL2047460 0.86 THRB (0.51) THRBRORCLMNASMN1; SMN2THRA
SCHEMBL7095446 0.86 THRB (0.47) THRBRORCMAPTHTTLMNA
SCHEMBL4962573 0.83 THRB (0.59) THRBTHRA
SCHEMBL7256878 0.83 KIF11 (0.45) THRBRORCLMNASMN1; SMN2THRA
SCHEMBL4963121 0.83 ALDH1A1 (0.44) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL8799741 0.82 MEN1 (0.47) THRBRORCMAPTTHRAMEN1
SCHEMBL6664059 0.82 TUBB4A (0.51) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL282017 0.80 THRB (0.53) THRBRORCTHRAMEN1KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
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
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 EP 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-6723744-B2 FOR THERAPY OF OBESITY, OVERWEIGHT CONDITION, HYPERLIPIDEMIA, GLAUCOMA, CARDIAC ARRHYTHMIAS, SKIN DISORDER, THYROID DISEASE, HYPOTHYROIDISM, THYROID CANCER, DIABETES, ATHEROSCLEROSIS, HYPERTENSION, CORONARY HEART DISEASE, HYPERCHOLESTEREMIA PFIZER, INC. 2004-04-20 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
US-20030166731-A1 Method of treating hair loss using diphenylether derivatives THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2003-09-04 US 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
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 EP disclosed
WO-2000072920-A1 SUBSTITUTED BIARYL ETHER COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO disclosed
WO-2000072812-A1 METHOD OF TREATING HAIR LOSS USING DIPHENYLETHER DERIVATIVES THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO disclosed
EP-0580550-B1 Oxamic acid derivatives as hypocholesteremic agents CIBA GEIGY AG (CH) 1997-10-22 EP disclosed
US-5654468-A ANTILIPID, ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5569674-A ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1996-10-29 US disclosed
US-5401772-A Anticholesterol agents with aromatic amines CIBA-GEIGY CORPORATION (US) 1995-03-28 US disclosed
EP-0580550-A1 Oxamic acid derivatives as hypocholesteremic agents CIBA-GEIGY AG (CH) 1994-01-26 EP 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 (5 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-20030166731-A1 Method of treating hair loss using diphenylether derivatives CYP27A1, DHCR7, CYP11A1 THRB 716/4885RORC 1125/4885MAPT 3361/4885
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885RORC 598/4885MAPT 2348/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885RORC 598/4885MAPT 2348/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885RORC 635/4885MAPT 2428/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB THRB 3/4885RORC 672/4885MAPT 2595/4885

“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.