SCHEMBL4568941

SCHEMBL4568941

CCCOc1cccc(OCc2c(C)cccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
SLC22A12 Q96S37 3/20 0.49
KMT2A Q03164 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.43
MAOB P27338 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
DHFR P00374 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 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
SCHEMBL29818723 0.85 TAAR1 (0.48) SLC22A12MAOB
SCHEMBL2205356 0.85 TAAR1 (0.48) SLC22A12MAOB
1,3-Dipropoxybenzene SCHEMBL73716 0.83 KMT2A (0.63) GPBAR1CYSLTR1KMT2ATSHRLMNA
SCHEMBL4568939 0.81 SMN1; SMN2 (0.51) GPBAR1CYSLTR1KMT2ACYSLTR2MAOB
SCHEMBL15297885 0.80 SLC22A12 (0.60) SLC22A12MAOB
SCHEMBL15297886 0.79 SLC22A12 (0.57) SLC22A12MAOBTSHRKDM4E
SCHEMBL874093 0.78 KMT2A (0.54) GPBAR1CYSLTR1KMT2ATSHRLMNA
SCHEMBL4568940 0.78 SLC22A12 (0.57) SLC22A12CYP2D6
1-Ethoxy-3-Propoxybenzene SCHEMBL3459404 0.77 MAPK1 (0.59) GPBAR1CYSLTR1KMT2ATSHRLMNA
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.77 TSHR (0.59) GPBAR1CYSLTR1KMT2ACYSLTR2TSHR

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 GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GPBAR1 294/4885CYSLTR1 417/4885SLC22A12 769/4885

“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.