SCHEMBL3706818

SCHEMBL3706818

CCC(O)CCCOc1cccc(C(N)CCO)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CFD P00746 1/20 0.38
TPSB2 P20231 1/20 0.38
CACNA1B Q00975 1/20 0.38
LMNA P02545 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
LTB4R Q15722 1/20 0.37

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
SCHEMBL3705495 0.91 TSHR (0.42) TSHRKDM4EALOX5ALDH1A1SMN1; SMN2
SCHEMBL3967907 0.85 TSHR (0.52) TSHRALOX5ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3972169 0.85 SMN1; SMN2 (0.45) TSHRKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3967162 0.83 ALDH1A1 (0.47) TSHRKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3964690 0.83 CYP1A2 (0.43) TSHRKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL3968473 0.83 MAPK1 (0.43) TSHRKDM4EALOX5ALDH1A1SMN1; SMN2
SCHEMBL3966429 0.81 TDP1 (0.44) TSHRKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL3972478 0.81 CHEK2 (0.42) TSHRKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL3702329 0.81 TSHR (0.46) TSHRKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL10513076 0.79 ALDH1A1 (0.46) TSHRKDM4EALOX5ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 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-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 (4 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TSHR 2964/4885KDM4E 2349/4885ALOX5 41/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TSHR 2964/4885KDM4E 2349/4885ALOX5 41/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TSHR 2964/4885KDM4E 2349/4885ALOX5 41/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TSHR 2964/4885KDM4E 2349/4885ALOX5 41/4885

“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.