SCHEMBL282475

SCHEMBL282475

COCOc1ccc(Br)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
LPAR1 Q92633 1/20 0.35
CYSLTR2 Q9NS75 1/20 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
SCHEMBL31041181 0.85 TSHR (0.37) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL24133302 0.81 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL28009643 0.80 TSHR (0.41) ALDH1A1SMN1; SMN2TDP1KDM4ETSHR
SCHEMBL3917312 0.80 LPAR1 (0.49) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL17034855 0.79 GAA (0.40) ALDH1A1HTTMAPTSMN1; SMN2TSHR
SCHEMBL27645331 0.79 GAA (0.45) ALDH1A1HTTMAPTTDP1KDM4E
SCHEMBL29970124 0.79 GABRA1 (0.37) ALDH1A1HTTMAPTSMN1; SMN2CYP3A4
SCHEMBL19617651 0.79 GABRA1 (0.37) ALDH1A1HTTMAPTSMN1; SMN2CYP3A4
SCHEMBL2370519 0.78 MAPK1 (0.54) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL14125147 0.78 PTGDR2 (0.42) ALDH1A1HTTMAPTSMN1; SMN2TDP1

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-20230339993-A1 PREPARATION METHOD OF A CYCLIC PHOSPHONATE COMPOUND GANNEX PHARMA CO., LTD. (CN) 2023-10-26 US disclosed
US-11725019-B2 Preparation method of a cyclic phosphonate compound GANNEX PHARMA CO LTD. (CN) 2023-08-15 US disclosed
US-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists NANJING RUIJIE PHARMA CO., LTD. (CN) 2022-05-26 US disclosed
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
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
CN-101189248-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-28 CN disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US 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 (7 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-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists THRA, THRB, TSHR ALDH1A1 2389/4885HTT 304/4885MAPT 270/4885
US-11725019-B2 Preparation method of a cyclic phosphonate compound PHOSPHO1, PPIP5K2, PNKP ALDH1A1 3451/4885HTT 4674/4885MAPT 3701/4885
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 ALDH1A1 4227/4885HTT 2134/4885MAPT 3512/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ALDH1A1 4227/4885HTT 2134/4885MAPT 3512/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ALDH1A1 4038/4885HTT 1991/4885MAPT 3885/4885
US-20230339993-A1 PREPARATION METHOD OF A CYCLIC PHOSPHONATE COMPOUND PHOSPHO1, PPIP5K2, PNKP ALDH1A1 3451/4885HTT 4674/4885MAPT 3701/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ALDH1A1 4147/4885HTT 1592/4885MAPT 3105/4885

“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.