SCHEMBL2231833

SCHEMBL2231833

COP(=O)(OC)OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL3818106 0.95 ALDH1A1 (0.35) ALDH1A1CYP3A4L3MBTL1TSHRGAA
SCHEMBL17373608 0.86 CYP3A4 (0.31) ALDH1A1CYP3A4L3MBTL1TSHRGAA
SCHEMBL2233429 0.86 TSHR (0.50) ALDH1A1CYP3A4L3MBTL1TSHRGAA
SCHEMBL133326 0.86 TSHR (0.45) ALDH1A1CYP3A4L3MBTL1TSHRGAA
SCHEMBL16369496 0.83 NPSR1 (0.32) NPSR1
SCHEMBL3630561 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4L3MBTL1TSHRGAA
Phosphoric Acid SCHEMBL7044382 0.79 TSHR (0.39) ALDH1A1CYP3A4L3MBTL1TSHRGAA
SCHEMBL18746465 0.78 PIK3CD (0.33) GAAMEN1KMT2A
SCHEMBL5968817 0.77 CYP3A4 (0.33) ALDH1A1CYP3A4L3MBTL1TSHRLMNA
SCHEMBL1296634 0.77 TSHR (0.65) ALDH1A1CYP3A4L3MBTL1TSHRGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105088770-B A kind of core-skin spins flame-retardant anti-dripping fibre and preparation method and application 中国人民解放军总后勤部军需装备研究所 2017-10-13 CN claimed
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-10004740-B2 Prodrugs of HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-26 US disclosed
US-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 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-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS TYMP, RNGTT, REV1 ALDH1A1 329/4885CYP3A4 108/4885L3MBTL1 1436/4885
US-10004740-B2 Prodrugs of HIV reverse transcriptase inhibitors TYMP, RNGTT, REV1 ALDH1A1 329/4885CYP3A4 108/4885L3MBTL1 1436/4885

“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.