SCHEMBL4965153

SCHEMBL4965153

Cc1cc(N)cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1.Cc1cc(N)cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.53
THRB P10828 7/20 0.53
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRAF P15056 1/20 0.42
HDAC1 Q13547 1/20 0.42
TLR4 O00206 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GCK P35557 1/20 0.38

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
SCHEMBL4962675 1.00 THRA (0.53) THRATHRBHTTKDM4EMEN1
SCHEMBL4963110 0.84 THRA (0.47) THRATHRBHTTKDM4EMEN1
SCHEMBL4965063 0.84 THRA (0.47) THRATHRBHTTKDM4EMEN1
SCHEMBL5404227 0.83 THRB (0.51) THRATHRBHTTKDM4EMEN1
SCHEMBL8799347 0.82 THRA (0.60) THRATHRB
SCHEMBL1641091 0.80 THRB (0.61) THRATHRB
SCHEMBL7212348 0.80 THRB (0.61) THRATHRB
SCHEMBL7207345 0.80 THRA (0.50) THRATHRBHTTKDM4EMEN1
SCHEMBL4965106 0.80 THRA (0.50) THRATHRBHTTKDM4EMEN1
SCHEMBL8799539 0.79 THRA (0.68) THRATHRBMAPT

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 10 patents. 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
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-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
EP-1297833-A1 Indole carboxylic acids as thyroid receptor ligands Pfizer Products Inc. (US) 2003-04-02 EP disclosed
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP 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 (2 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 THRA 1/4885THRB 4/4885HTT 435/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRA 1/4885THRB 4/4885HTT 435/4885

“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.