SCHEMBL4568918

SCHEMBL4568918

CCCOc1cccc(OCCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
TSHR P16473 3/20 0.50
GPBAR1 Q8TDU6 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
PLA2G4B P0C869 1/20 0.47
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMPD1 P17405 3/20 0.45
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4568928 0.94 KMT2A (0.60) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B
SCHEMBL4568921 0.93 KMT2A (0.58) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B
SCHEMBL8955665 0.91 TSHR (0.62) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B
SCHEMBL73781 0.90 KMT2A (0.59) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B
SCHEMBL715593 0.90 ALDH1A1 (0.54) TSHRALDH1A1RECQL
SCHEMBL8955681 0.89 TSHR (0.65) KMT2ATSHRGPBAR1PLA2G4BSMPD1
1,3-Dipropoxybenzene SCHEMBL73716 0.88 KMT2A (0.63) KMT2ATSHRGPBAR1CYSLTR1MAPK1
SCHEMBL8956143 0.87 TSHR (0.57) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B
SCHEMBL8955762 0.87 TSHR (0.62) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.86 TSHR (0.59) KMT2ATSHRGPBAR1CYSLTR1PLA2G4B

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 KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885TSHR 2964/4885GPBAR1 294/4885

“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.