SCHEMBL4569035

SCHEMBL4569035

O=C1c2ccccc2C(=O)N1CC#Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
PDK2 Q15119 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD5 P21918 1/20 0.39
P2RY6 Q15077 1/20 0.39
GRM5 P41594 1/20 0.39
KAT6A Q92794 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
SCHEMBL25824900 0.93 MAOA (0.40) ALDH1A1TSHRMAPK1HTTMAOA
SCHEMBL4569154 0.89 CHRNB4 (0.46) MAOAMAOBTLR4TLR2CHRNB4
SCHEMBL2207552 0.78 RAB9A (0.60) ALDH1A1TSHRMAPK1MAOAMAOB
SCHEMBL4569044 0.78 RAB9A (0.60) ALDH1A1TSHRMAPK1MAOAMAOB
SCHEMBL11996362 0.78 MAOA (0.47) ALDH1A1MAPK1MAOAMAOBTLR4
SCHEMBL2208993 0.78 RAB9A (0.60) ALDH1A1TSHRMAPK1MAOAMAOB
SCHEMBL2204534 0.78 TLR4 (0.45) TLR4TLR2CHRNB4CHRNA3PARP15
SCHEMBL8803206 0.78 MMP2 (0.53) ALDH1A1MAPK1HTTGRM5
SCHEMBL4568824 0.78 CHRNB4 (0.47) MAOAMAOBTLR4TLR2CHRNB4
SCHEMBL8903855 0.77 MAOA (0.46) ALDH1A1MAOAMAOBTLR4TLR2

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 40 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-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 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-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 (11 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 ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 133/4885TSHR 2971/4885MAPK1 2460/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885TSHR 2964/4885MAPK1 2505/4885

“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.