SCHEMBL1008679

SCHEMBL1008679

CC(C)(C#N)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ACHE P22303 2/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL1592771 0.85 JAK2 (0.44) ESR1ESR2JAK2ROCK2PRKCQ
SCHEMBL11479931 0.79 GRM1 (0.46) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL10183753 0.79 HDAC4 (0.42) ESR1ESR2ALDH1A1HSD17B10ACHE
SCHEMBL5057717 0.79 GABRA1 (0.48) ESR1ESR2ALDH1A1CYP3A4LMNA
SCHEMBL9080223 0.78 PRKCQ (0.44) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL2442297 0.78 ACHE (0.44) ALDH1A1CYP3A4LMNAACHEJAK2
Resorcinol SCHEMBL28005416 0.77 ALDH1A1 (0.55) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL13531100 0.77 ALDH1A1 (0.48) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL2957052 0.76 ESR1 (0.54) ESR1ESR2ALDH1A1CYP3A4CA12
SCHEMBL1492513 0.76 ESR1 (0.68) ESR1ESR2ALDH1A1CYP3A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1252017-C 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage UNIV WUHAN (CN) 2006-04-19 CN claimed
CN-1252018-C 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage UNIV WUHAN (CN) 2006-04-19 CN claimed
CN-1252024-C 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage UNIV WUHAN (CN) 2006-04-19 CN claimed
CN-1562929-A 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN claimed
CN-1562928-A 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN claimed
CN-1562935-A 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN claimed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3517109-A1 COMPOUNDS AND METHOD FOR REDUCING URIC ACID Wellstat Therapeutics Corporation (US) 2019-07-31 EP disclosed
EP-2268141-B1 COMPOUND AND METHOD FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORP (US) 2019-05-08 EP disclosed
US-9115072-B2 Compounds and method for reducing uric acid WELLSTAT THERAPEUTICS CORPORATION (US) 2015-08-25 US disclosed
CN-101969773-B compounds and methods for reducing uric acid WELLSTAT THERAPEUTICS CORP. (US) 2015-08-19 CN disclosed
CN-102976928-B Compounds for reducing uric acid WELLSTAT THERAPEUTICS CORP 2014-09-17 CN disclosed
US-20130259850-A1 COMPOUNDS AND METHOD FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2013-10-03 US disclosed
CN-1252018-C 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage UNIV WUHAN (CN) 2006-04-19 CN disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
CN-1562935-A 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN disclosed
CN-1562929-A 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN disclosed
CN-1562928-A 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN disclosed
CN-1562928-A 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage UNIV WUHAN (CN) 2005-01-12 CN 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 (3 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 ESR1 698/4885ESR2 80/4885ALDH1A1 560/4885
US-20130259850-A1 COMPOUNDS AND METHOD FOR REDUCING URIC ACID RCC2, HAX1, SLC10A6 ESR1 3314/4885ESR2 1742/4885ALDH1A1 3768/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ESR1 266/4885ESR2 42/4885ALDH1A1 422/4885

“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.