SCHEMBL2914501

SCHEMBL2914501

CCC(C)(C)c1cc(CCCO)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
MAPK1 P28482 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SHBG P04278 1/20 0.34
GSR P00390 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL9176669 0.92 ESR1 (0.40) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9180719 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9178100 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9183387 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9184040 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9185268 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9184232 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9180104 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL3814419 0.90 ESR1 (0.39) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL9183797 0.90 PTGS2 (0.41) ESR1ESR2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257858-B1 PHOSPHOROUS ACID COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-08-26 EP disclosed
EP-2110370-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-09-01 EP disclosed
EP-1348686-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
EP-2110370-A1 Method of producing p-hydroxyphenylalkanols Sumitomo Chemical Company, Limited (JP) 2009-10-21 EP 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
US-6717020-B2 HIGH YIELD REACTION OF PHENOLS AND UNSATURATED ALCOHOLS IN PRESENCE OF SUCH AS TITANIUM TETRAETHOXIDE AND SODIUM METHOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-06 US disclosed
US-20030195379-A1 Method of producing p-Hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-16 US disclosed
EP-1348686-A1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-01 EP 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 (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-20030195379-A1 Method of producing p-Hydroxyphenylalkanols ADH1C, NR1H3, ADH5 TNKS2 3493/4885ESR1 1976/4885ESR2 351/4885
US-20040225145-A1 Process for producing phosphite PHOSPHO1, PLCG1, PLCG2 TNKS2 3019/4885ESR1 3917/4885ESR2 3325/4885

“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.