SCHEMBL282134

SCHEMBL282134

COc1cc(C)c(I)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 4/20 0.44
HPGD P15428 2/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
FFAR4 Q5NUL3 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ACHE P22303 2/20 0.38
PTPN1 P18031 2/20 0.37
NQO2 P16083 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL10051169 0.85 NQO2 (0.44) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL26093189 0.84 CYP3A4 (0.58) ALDH1A1CYP3A4HPGDCA1CA2
SCHEMBL10477447 0.80 CYP3A4 (0.41) ALDH1A1CYP3A4HPGDFFAR4NQO2
SCHEMBL10477350 0.79 CA1 (0.38) ALDH1A1CYP3A4HPGDCA1CA2
SCHEMBL2633660 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL12326164 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL815911 0.75 CYP3A4 (0.48) ALDH1A1CYP3A4HPGDCA1CA2
SCHEMBL2955343 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL18970526 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL3749321 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605404-B Novel thiazole-containing compound, intermediate and application thereof 合肥美诺医药有限公司 2024-01-05 CN disclosed
US-20230219336-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2023-07-13 US disclosed
CN-114605404-A Novel thiazole-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-06-10 CN 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-7906522-B2 2-aminoquinazoline derivatives KYOWA HAKKO KIRIN CO., LTD (JP) 2011-03-15 US 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-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-28 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 US disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1878727-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-16 EP disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO 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
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 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 (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 ALDH1A1 4227/4885CYP3A4 754/4885HPGD 1338/4885
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES SLC7A1, SLC38A7, PRMT7 ALDH1A1 1329/4885CYP3A4 401/4885HPGD 4411/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ALDH1A1 4227/4885CYP3A4 754/4885HPGD 1338/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ALDH1A1 4038/4885CYP3A4 1156/4885HPGD 1761/4885

“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.