SCHEMBL4568903

SCHEMBL4568903

CCCOc1cc(C)cc(OCC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP10 Q53GL7 6/20 0.40
PARP15 Q460N3 5/20 0.40
F2 P00734 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 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
SCHEMBL2204706 0.86 PARP10 (0.43) PARP10PARP15
SCHEMBL29818658 0.86 PARP10 (0.43) PARP10PARP15
SCHEMBL4568768 0.84 TLR4 (0.53) CYP1A2CYP2D6CYP2C19PARP10PARP15
SCHEMBL4568767 0.84 TLR4 (0.53) CYP1A2CYP2D6CYP2C19PARP10PARP15
SCHEMBL4568904 0.84 TLR4 (0.53) CYP1A2CYP2D6CYP2C19PARP10PARP15
SCHEMBL18545592 0.84 PARP10 (0.47) PARP10PARP15MAOAMAOB
SCHEMBL25819231 0.84 KDM4E (0.40) PARP10PARP15MAOAMAOBTLR4
SCHEMBL4568813 0.83 TLR4 (0.51) CYP1A2CYP2D6CYP2C19PARP10PARP15
SCHEMBL13881591 0.82 KDM4E (0.40) PARP10PARP15F2MAOAMAOB
SCHEMBL25822137 0.82 PARP10 (0.40) PARP10PARP15F2

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 15 patents. 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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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 (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 CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP1A2 2936/4885CYP2D6 3691/4885CYP2C19 3756/4885

“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.