SCHEMBL4568778

SCHEMBL4568778

CCCOc1cccc(OCC(CC)CC)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
HIF1A Q16665 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 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
SCHEMBL17138204 0.91 TSHR (0.49) HIF1AGPBAR1TSHRMAPK1KDM4E
SCHEMBL4568773 0.88 KMT2A (0.49) KMT2AHIF1AGPBAR1CYSLTR1ACACB
SCHEMBL2205973 0.86 TAAR1 (0.48) HIF1ATSHRMAPK1KDM4ECYP1A2
SCHEMBL29818970 0.86 TAAR1 (0.48) HIF1ATSHRMAPK1KDM4ECYP1A2
1,3-Dipropoxybenzene SCHEMBL73716 0.84 KMT2A (0.63) KMT2AGPBAR1CYSLTR1TSHRMAPK1
SCHEMBL17138148 0.84 HIF1A (0.47) HIF1AGPBAR1TSHRMAPK1KDM4E
Ammonia Solution, Strong SCHEMBL3967918 0.84 TP53 (0.52) HIF1AACACBACACATSHRMAPK1
SCHEMBL13881639 0.83 HTR1B (0.54) KMT2AMAPK1KDM4ECYP1A2CYP2D6
SCHEMBL25822184 0.82 MAPK1 (0.46) KMT2AHIF1ATSHRMAPK1KDM4E
SCHEMBL18539782 0.81 TSHR (0.46) KMT2AHIF1ATSHRMAPK1KDM4E

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 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 294/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885HIF1A 1254/4885GPBAR1 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.