SCHEMBL4568929

SCHEMBL4568929

CCCOc1cccc(OCC(O)CCC)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.58
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29818706 0.89 HIF1A (0.54) HIF1AMAPK1TSHRKDM4ELMNA
SCHEMBL2204565 0.89 HIF1A (0.54) HIF1AMAPK1TSHRKDM4ELMNA
SCHEMBL19865595 0.84 HIF1A (0.55) HIF1AMAPK1TSHRKDM4ELMNA
SCHEMBL9123406 0.84 ADRB2 (0.62) HIF1AMAPK1TSHRKMT2ALMNA
SCHEMBL4568773 0.83 KMT2A (0.49) HIF1AMAPK1TSHRKDM4EKMT2A
SCHEMBL4568899 0.81 HIF1A (0.51) HIF1AMAPK1TSHRKDM4EKMT2A
SCHEMBL6032899 0.81 LMNA (0.60) HIF1ATSHRKDM4EKMT2ALMNA
SCHEMBL13881546 0.81 HIF1A (0.51) HIF1AMAPK1TSHRKDM4ELMNA
SCHEMBL4568927 0.81 KMT2A (0.50) HIF1AMAPK1TSHRKDM4EKMT2A
1,3-Dipropoxybenzene SCHEMBL73716 0.80 KMT2A (0.63) MAPK1TSHRKDM4EKMT2ALMNA

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-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239836-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 HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER HIF1A 1254/4885MAPK1 2505/4885TSHR 2964/4885

“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.