SCHEMBL6567344

SCHEMBL6567344

CCOc1c(C)cc(C(C)(C)C)cc1CCCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ESR1 P03372 1/20 0.32
HTR1B P28222 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 1/20 0.31
CD69 Q07108 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL6568857 0.87 RXRA (0.43) CYP2C19RARGRXRAPPARGELANE
SCHEMBL6565791 0.84 HTR1D (0.36) HTR1DALDH1A1CYP2C19HTR1BRXRA
SCHEMBL6568806 0.80 HTR1D (0.35) HTR1DALDH1A1CYP2C19CYP4F2CYP4A11
SCHEMBL7786411 0.79 NR1H4 (0.50) NPSR1RARGRXRAPPARGELANE
SCHEMBL7941195 0.79 CYP4F2 (0.40) CYP4F2CYP4A11PPARGGAAHSD17B10
SCHEMBL12401801 0.78 POLB (0.43) HTR1DALDH1A1NPSR1ESR1HTR1B
SCHEMBL6567747 0.78 HSPA5 (0.41) ALDH1A1CYP2C19CYP4F2CYP4A11RARG
SCHEMBL7794927 0.76 RXRA (0.50) ALDH1A1CYP2C19RARGRXRAPPARG
SCHEMBL6565818 0.76 CYP2C19 (0.47) HTR1DALDH1A1CYP2C19ESR1HTR1B
SCHEMBL8433459 0.75 MAPT (0.38) ALDH1A1CYP2C19RARGRXRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR1D 4328/4885ALDH1A1 4488/4885CYP2C19 1924/4885

“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.