SCHEMBL296674

SCHEMBL296674

COCOc1ccc(Cc2c(C)cc(O)cc2C)cc1C(=O)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.50
MEN1 O00255 1/20 0.48
GBA1 P04062 1/20 0.48
KMT2A Q03164 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ESRRB O95718 1/20 0.43
ESRRG P62508 1/20 0.43

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
SCHEMBL4211550 0.91 AKR1C3 (0.47) AKR1C3MEN1GBA1KMT2ADNMT3A
SCHEMBL4211968 0.90 KDM5B (0.47) AKR1C3MEN1GBA1KMT2ANPC1
SCHEMBL3734457 0.87 THRA (0.51) AKR1C3MEN1GBA1KMT2ANPC1
SCHEMBL283188 0.86 AKR1C3 (0.47) AKR1C3MEN1GBA1KMT2ANPC1
SCHEMBL283143 0.84 AKR1C3 (0.44) AKR1C3MEN1GBA1KMT2ANPC1
SCHEMBL27702900 0.81 BACE1 (0.39) AKR1C3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL282460 0.77 OPRK1 (0.48)
SCHEMBL282289 0.74 THRA (0.42)
SCHEMBL282740 0.74 THRA (0.49)
SCHEMBL3153591 0.74 THRB (0.63) SMN1; SMN2

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-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 AKR1C3 880/4885MEN1 1845/4885GBA1 1952/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 AKR1C3 880/4885MEN1 1845/4885GBA1 1952/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB AKR1C3 1516/4885MEN1 2475/4885GBA1 1603/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE AKR1C3 1249/4885MEN1 1545/4885GBA1 1378/4885

“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.