SCHEMBL6568751

SCHEMBL6568751

CC(C)(C)c1cc(CCCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 6/20 0.42
HSPA5 P11021 2/20 0.42
CYP2C9 P11712 5/20 0.41
HIF1A Q16665 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
HSP90AA1 P07900 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
GSR P00390 2/20 0.38

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
SCHEMBL6568745 0.98 ALDH1A1 (0.43) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL6567342 0.95 ALDH1A1 (0.45) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL4597630 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL7966200 0.87 NR5A2 (0.50) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL466567 0.86 CYP2C19 (0.50) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL11312390 0.85 NR5A2 (0.49) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL30800914 0.85 NR5A2 (0.49) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL17500123 0.85 NR5A2 (0.49) ALDH1A1MAPK1HTTNPSR1GAA
SCHEMBL6567306 0.85 CYP2C19 (0.46) ALDH1A1MAPK1HTTCYP2C19HSPA5
SCHEMBL235651 0.85 NR5A2 (0.51) ALDH1A1MAPK1HTTNPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102292371-B Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH 2014-09-17 CN claimed
CN-102292371-B Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH 2014-09-17 CN disclosed
EP-1484334-A2 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-08 EP disclosed
US-20040225145-A1 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-11 US disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP 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 (1 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-20040225145-A1 Process for producing phosphite PHOSPHO1, PLCG1, PLCG2 ALDH1A1 4488/4885MAPK1 762/4885HTT 4768/4885

“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.