SCHEMBL16037802

SCHEMBL16037802

Cc1ccc(C2(C)CCCC2)cc1C1(C)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
HDAC4 P56524 2/20 0.34
ALOX12 P18054 2/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACHE P22303 1/20 0.33
CCR2 P41597 1/20 0.33
OPRD1 P41143 1/20 0.32
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
OPRM1 P35372 1/20 0.31
LMNA P02545 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL16033419 0.98 ESR1 (0.41) ESR1ESR2HDAC4ALOX12GLA
SCHEMBL28971843 0.78 RARB (0.49) ESR1ESR2ALOX12GLATSHR
SCHEMBL19381780 0.76 LMNA (0.43) ESR1ESR2TSHRRARBRARG
SCHEMBL10602015 0.73 ESR1 (0.42) ESR1ESR2
SCHEMBL11800826 0.72 HDAC4 (0.50) HDAC4TSHRACHEOPRD1OPRM1
SCHEMBL11809115 0.72 PTGDR (0.41) ALOX12GLATSHRRARBRARG
SCHEMBL11800829 0.72 KMT2A (0.42) ESR1ESR2ACHEOPRM1
SCHEMBL6152617 0.71 HDAC4 (0.49) HDAC4TSHRACHEOPRD1OPRM1
SCHEMBL9104504 0.71 TDP1 (0.39) TSHROPRD1
SCHEMBL26607158 0.71 ESR1 (0.65) ESR1ESR2ALOX12CYP2C19ACHE

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198660-B2 Production of methyl-substituted biphenyl compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-14 US disclosed
US-20200325086-A1 Production of Methyl-substituted Biphenyl Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2020-10-15 US disclosed
EP-3274318-B1 PRODUCTION OF BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-02-26 EP disclosed
EP-3442932-B1 PRODUCTION OF METHYL-SUBSTITUTED BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-11-20 EP disclosed
EP-2970049-B1 METHYL-SUBSTITUTED BIPHENYL COMPOUNDS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-10-16 EP disclosed
EP-3442932-A1 PRODUCTION OF METHYL-SUBSTITUTED BIPHENYL COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2019-02-20 EP disclosed
EP-3274318-A1 PRODUCTION OF BIPHENYL COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2018-01-31 EP disclosed
WO-2017180240-A1 PRODUCTION OF METHYL-SUBSTITUTED BIPHENYL COMPOUNDS EXXONMOBIL CHEMILCAL PATENTS INC. (US) 2017-10-19 WO disclosed
US-9725377-B2 Hydroalkylation catalyst and process for use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-08-08 US disclosed
US-9708230-B2 Production of biphenyl compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-07-18 US disclosed
WO-2015134059-A1 HYDROALKYLATION CATALYST AND PROCESS FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-09-11 WO disclosed
US-20140378697-A1 Hydroalkylation Catalyst and Process for Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2014-12-25 US disclosed
US-20140316155-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 US disclosed
WO-2014159104-A1 METHYL-SUBSTITUTED BIPHENYL COMPOUNDS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-02 WO disclosed
WO-2014159106-A1 METHYL-SUBSTITUTED BIPHENYL COMPOUNDS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-02 WO disclosed
WO-2014159094-A1 METHYL-SUBSTITUTED BIPHENYL COMPOUNDS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-02 WO disclosed
WO-2014159101-A1 METHYL-SUBSTITUTED BIPHENYL COMPOUNDS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-02 WO disclosed
US-20140275606-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-09-18 US disclosed
US-20140275607-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-09-18 US disclosed
US-20140275609-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-09-18 US 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 (7 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-20140275606-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers BMI1, DNMT3B, DNMT1 ESR1 425/4885ESR2 400/4885HDAC4 2035/4885
US-20140275607-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers DNMT3B, DNMT1, BMI1 ESR1 316/4885ESR2 307/4885HDAC4 1335/4885
US-11198660-B2 Production of methyl-substituted biphenyl compounds CYP1B1, CYP1A1, CYP4B1 ESR1 1159/4885ESR2 807/4885HDAC4 1812/4885
US-20140378697-A1 Hydroalkylation Catalyst and Process for Use Thereof CYP2E1, ADH1C, AHR ESR1 1608/4885ESR2 2357/4885HDAC4 2178/4885
US-20140316155-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers DDT, HPD, AHR ESR1 1483/4885ESR2 1079/4885HDAC4 2480/4885
US-20140275609-A1 Methyl-Substituted Biphenyl Compounds, Their Production and Their Use in the Manufacture of Plasticizers DDT, HPD, AHR ESR1 1971/4885ESR2 1293/4885HDAC4 2493/4885
US-20200325086-A1 Production of Methyl-substituted Biphenyl Compounds CYP1B1, CYP1A1, CYP4B1 ESR1 1159/4885ESR2 807/4885HDAC4 1812/4885

“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.