SCHEMBL4569043

SCHEMBL4569043

Brc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL2209407 1.00 TLR4 (0.52) TLR4TLR2CCNA2CDK2CCNA1
SCHEMBL19399879 0.98 MAOB (0.50) TLR4TLR2CCNA2CDK2CCNA1
SCHEMBL16180720 0.95 MAOB (0.50) TLR4TLR2CCNA2CDK2CCNA1
SCHEMBL931640 0.91 MAOB (0.53) TLR4TLR2MAOB
SCHEMBL30074482 0.91 MAOB (0.53) TLR4TLR2MAOB
SCHEMBL18734265 0.84 RAB9A (0.54) TLR4TLR2MAOB
SCHEMBL2151063 0.84 PARP10 (0.47) TLR4TLR2MAOBMAOAPARP15
SCHEMBL20518442 0.84 RAB9A (0.54) TLR4TLR2MAOB
SCHEMBL18706982 0.84 RAB9A (0.54) TLR4TLR2MAOB
SCHEMBL16031257 0.84 CYP2D6 (0.46) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 EP disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO 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 (9 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885CCNA2 3071/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885CCNA2 3071/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 TLR4 3598/4885TLR2 2965/4885CCNA2 2219/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 517/4885TLR2 890/4885CCNA2 3115/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885CCNA2 3071/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885CCNA2 3071/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885CCNA2 3071/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TLR4 595/4885TLR2 943/4885CCNA2 3071/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 TLR4 3598/4885TLR2 2965/4885CCNA2 2219/4885

“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.