SCHEMBL4568818

SCHEMBL4568818

CCCNc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
ADAM17 P78536 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
PARP10 Q53GL7 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PARP15 Q460N3 1/20 0.42
KAT6A Q92794 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL25821375 0.88 SIRT2 (0.51) SIRT2TLR4TLR2CCNA2CDK2
SCHEMBL4413178 0.86 SIRT2 (0.55) SIRT2TLR4TLR2PARP10PARP15
SCHEMBL27996034 0.83 SIRT2 (0.56) SIRT2TLR4TLR2CCNA2CDK2
Ammonia Solution, Strong SCHEMBL3705496 0.80 SIRT2 (0.53) SIRT2TLR4TLR2CCNA2CDK2
SCHEMBL4568768 0.79 TLR4 (0.53) SIRT2TLR4TLR2ADAM17PARP10
SCHEMBL4568904 0.79 TLR4 (0.53) SIRT2TLR4TLR2ADAM17PARP10
SCHEMBL4568767 0.79 TLR4 (0.53) SIRT2TLR4TLR2ADAM17PARP10
SCHEMBL5670713 0.78 CETP (0.51) SIRT2TLR4TLR2PARP10KAT6A
SCHEMBL4569109 0.78 SIRT2 (0.49) SIRT2TLR4TLR2PARP10MAOA
SCHEMBL12867305 0.77 SIRT2 (0.60) SIRT2ADAM17NR1H4RAB9ASMN1; SMN2

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 SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SIRT2 923/4885TLR4 595/4885TLR2 943/4885

“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.