SCHEMBL3589633

SCHEMBL3589633

COCOc1ccc(OCOC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FYN P06241 3/20 0.39
MAPT P10636 1/20 0.38
LTA4H P09960 2/20 0.37
APP P05067 3/20 0.37
KDR P35968 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL197283 0.92 FYN (0.45) NQO1MMP2MMP3MMP9MMP14
SCHEMBL12926336 0.92 MMP2 (0.51) NQO1MMP2MMP3MMP9MMP14
SCHEMBL14514637 0.92 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2131789 0.89 ACHE (0.52) NQO1MAPT
SCHEMBL812098 0.87 MAOB (0.44) NQO1APPCYP2C9MAOB
SCHEMBL17066812 0.87 NQO1 (0.40) NQO1MMP2MMP3MMP9MMP14
SCHEMBL13170580 0.87 APP (0.48) NQO1MMP2MMP3MMP9MMP14
SCHEMBL17553700 0.87 NQO1 (0.40) NQO1MMP2MMP3MMP9MMP14
SCHEMBL1923910 0.87 LTA4H (0.54) LTA4HAPP
SCHEMBL12772054 0.87 CYP1A2 (0.46) TDP1APPMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117239231-A Electrolyte additive for lithium battery, electrolyte and preparation method of electrolyte 哈尔滨工业大学 2023-12-15 CN claimed
CN-117239231-A Electrolyte additive for lithium battery, electrolyte and preparation method of electrolyte 哈尔滨工业大学 2023-12-15 CN disclosed
CN-117239231-A Electrolyte additive for lithium battery, electrolyte and preparation method of electrolyte 哈尔滨工业大学 2023-12-15 CN disclosed
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
US-20210311392-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-07 US disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-7217734-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2007-05-15 US disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1626974-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
WO-2004094400-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-0579420-B1 Negative working resist material and pattern forming process WAKO PURE CHEM IND LTD (JP) 1997-03-05 EP disclosed
US-5389491-A Negative working resist composition MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0579420-A2 Negative working resist material and pattern forming process WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1994-01-19 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-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists MCHR1, MCHR2, MC1R NQO1 3123/4885MMP2 4441/4885MMP3 3325/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 NQO1 1190/4885MMP2 2888/4885MMP3 1042/4885

“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.