SCHEMBL4568773

SCHEMBL4568773

CCCOc1cccc(OCC(CCC)CCC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
GPBAR1 Q8TDU6 3/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
HIF1A Q16665 1/20 0.45
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL2205886 0.89 TAAR1 (0.46) KMT2AGPBAR1CYSLTR1HIF1ATSHR
SCHEMBL4568778 0.88 KMT2A (0.50) KMT2AGPBAR1CYSLTR1HIF1ATSHR
SCHEMBL19291579 0.86 HTR1B (0.51) KMT2AHIF1AMAPK1ALDH1A1KDM4E
SCHEMBL17138148 0.86 HIF1A (0.47) GPBAR1HIF1ATSHRMAPK1KDM4E
SCHEMBL19624331 0.85 LTA4H (0.48) KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL25822164 0.85 CYP1A2 (0.43) KMT2AGPBAR1CYSLTR1HIF1ATSHR
SCHEMBL4568929 0.83 HIF1A (0.58) KMT2AGPBAR1CYSLTR1HIF1ATSHR
1,3-Dipropoxybenzene SCHEMBL73716 0.83 KMT2A (0.63) KMT2AGPBAR1CYSLTR1TSHRMAPK1
SCHEMBL18539785 0.83 HIF1A (0.47) KMT2AHIF1ATSHRMAPK1KDM4E
SCHEMBL4569036 0.81 APP (0.41) KMT2AHIF1ATSHRMAPK1

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 KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885GPBAR1 294/4885CYSLTR1 417/4885

“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.