SCHEMBL17164137

SCHEMBL17164137

CCCOCCOP(=O)(O)OCCOCC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 3/20 0.39
PLA2G2C Q5R387 2/20 0.37
LPAR3 Q9UBY5 4/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR5 Q9H1C0 1/20 0.35
THRB P10828 1/20 0.34
P2RY10 O00398 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL2522278 0.94 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1PLA2G2CLPAR3
SCHEMBL20466177 0.92 TSHR (0.45) TSHRCYP3A4ALDH1A1PLA2G2CLPAR3
SCHEMBL2518477 0.91 TSHR (0.44) TSHRCYP3A4ALDH1A1LPAR3LPAR1
SCHEMBL17164135 0.88 CYP3A4 (0.62) TSHRCYP3A4PLA2G2CLPAR3LPAR1
SCHEMBL28044773 0.88 TSHR (0.41) TSHRCYP3A4ALDH1A1LPAR3LPAR1
SCHEMBL2598173 0.88 CYP3A4 (0.45) TSHRCYP3A4ALDH1A1PLA2G2CLPAR3
SCHEMBL11591195 0.87 TSHR (0.41) TSHRCYP3A4ALDH1A1LPAR3LPAR1
SCHEMBL2598056 0.85 TSHR (0.40) TSHRCYP3A4ALDH1A1LPAR3LPAR1
SCHEMBL23001188 0.85 LPAR3 (0.58) TSHRCYP3A4PLA2G2CLPAR3LPAR1
SCHEMBL14584196 0.85 TSHR (0.45) TSHRCYP3A4ALDH1A1LPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129353-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2024-02-28 EP disclosed
US-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase COVESTRO DEUTSCHLAND AG (DE) 2019-05-21 US disclosed
US-10252988-B2 Composition for producing transparent polythiourethane bodies COVESTRO DEUTSCHLAND AG (DE) 2019-04-09 US disclosed
EP-3129352-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2017-11-15 EP disclosed
US-20170210702-A1 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2017-07-27 US disclosed
US-20170121449-A1 COMPOSITION FOR PRODUCING TRANSPARENT POLYTHIOURETHANE BODIES MITSUI CHEMICALS, INC. (JP) 2017-05-04 US disclosed
EP-3129352-A1 COMPOSITION CONTAINING AROMATIC NITRILES FOR THE PRODUCTION OF TRANSPARENT POLYTHIOURETHANE BODIES Covestro Deutschland AG (DE) 2017-02-15 EP disclosed
EP-3129353-A1 COMPOSITION FOR PRODUCING TRANSPARENT POLYTHIOURETHANE BODIES Covestro Deutschland AG (DE) 2017-02-15 EP disclosed
EP-3129351-A2 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE Covestro Deutschland AG (DE) 2017-02-15 EP disclosed
US-20170029552-A1 COMPOSITION CONTAINING AROMATIC NITRILES FOR THE PRODUCTION OF TRANSPARENT POLYTHIOURETHANE BODIES COVESTRO DEUTSCHLAND AG (DE) 2017-02-02 US disclosed
WO-2015155366-A1 COMPOSITION FOR PRODUCING TRANSPARENT POLYTHIOURETHANE BODIES BAYER MATERIALSCIENCE AG (DE) 2015-10-15 WO disclosed
WO-2015155367-A1 COMPOSITION CONTAINING AROMATIC NITRILES FOR THE PRODUCTION OF TRANSPARENT POLYTHIOURETHANE BODIES BAYER MATERIALSCIENCE AG (DE) 2015-10-15 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 (3 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-10252988-B2 Composition for producing transparent polythiourethane bodies PHOSPHO1, PCTP, AGPAT5 TSHR 2486/4885CYP3A4 2713/4885ALDH1A1 2830/4885
US-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase DCXR, DAD1, PAG1 TSHR 4447/4885CYP3A4 715/4885ALDH1A1 2050/4885
US-20170210702-A1 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE DCXR, DAD1, PAG1 TSHR 4447/4885CYP3A4 715/4885ALDH1A1 2050/4885

“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.