SCHEMBL6565818

SCHEMBL6565818

Cc1cc(C(C)(C)C)cc(CCCO)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.47
CYP2C9 P11712 5/20 0.47
CYP2D6 P10635 5/20 0.47
CYP1A2 P05177 4/20 0.47
HIF1A Q16665 2/20 0.39
HTR1D P28221 2/20 0.39
SHBG P04278 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR1B P28222 1/20 0.36
POLB P06746 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
HSD17B2 P37059 1/20 0.33
HSPA5 P11021 1/20 0.33
KLF10 Q13118 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL6567306 0.95 CYP2C19 (0.46) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL6567457 0.93 CYP2C19 (0.44) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL6565753 0.93 CYP2C19 (0.44) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL11797066 0.89 CYP2C19 (0.49) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL13365548 0.86 CYP2C19 (0.47) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL17500112 0.84 CYP2C19 (0.46) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL6567342 0.84 ALDH1A1 (0.45) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL17500069 0.83 ALOX5 (0.46) CYP2C19CYP2C9CYP2D6CYP1A2ESR1
SCHEMBL17500086 0.81 CYP2C19 (0.49) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A
SCHEMBL11040770 0.81 SHBG (0.57) CYP2C19CYP2C9CYP2D6CYP1A2HIF1A

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-1572795-A Process for producing phosphite SUMITOMO CHEMICAL CO (JP) 2005-02-02 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 CYP2C19 1924/4885CYP2C9 1692/4885CYP2D6 2309/4885

“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.