SCHEMBL3357255

SCHEMBL3357255

CCCCCC(C)COCC1CO1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.39
ENPP2 Q13822 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL28525794 0.98 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL812355 0.98 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL10942415 0.98 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL17559518 0.98 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL10942290 0.98 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL10943444 0.98 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8953912 0.95 ALDH1A1 (0.68) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8674186 0.88 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8672267 0.88 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL4349942 0.87 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868793-B2 Cationic group-containing cellulose ether KAO CORPORATION (JP) 2018-01-16 US disclosed
EP-3010591-B1 CATIONIC GROUP-CONTAINING CELLULOSE ETHER KAO CORP (JP) 2017-04-12 EP disclosed
US-20160122441-A1 CATIONIC GROUP-CONTAINING CELLULOSE ETHER KAO CORPORATION (JP) 2016-05-05 US disclosed
EP-3010591-A1 CATIONIC GROUP-CONTAINING CELLULOSE ETHER Kao Corporation (JP) 2016-04-27 EP disclosed
CN-105142731-A Cationic group-containing cellulose ether KAO CORP 2015-12-09 CN disclosed
WO-2014203548-A1 CATIONIC GROUP-CONTAINING CELLULOSE ETHER KAO CORPORATION (JP) 2014-12-24 WO disclosed
US-20100168450-A1 NOVEL BRANCHED ALKOXYLATES THOEN JOHAN A 2010-07-01 US disclosed
CN-101668728-A Novel alkoxylate-containing compositions DOW GLOBAL TECHNOLOGIES INC 2010-03-10 CN disclosed
CN-101668726-A New branched alkoxylates DOW GLOBAL TECHNOLOGIES INC 2010-03-10 CN disclosed
EP-2152653-A1 NOVEL ALKOXYLATE-CONTAINING COMPOSITIONS Dow Global Technologies Inc. (US) 2010-02-17 EP disclosed
EP-2139833-A1 NOVEL BRANCHED ALKOXYLATES Dow Global Technologies Inc. (US) 2010-01-06 EP disclosed
WO-2008134390-A1 NOVEL BRANCHED ALKOXYLATES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 WO disclosed
WO-2008134389-A1 NOVEL ALKOXYLATE-CONTAINING COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 WO 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 (1 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-20160122441-A1 CATIONIC GROUP-CONTAINING CELLULOSE ETHER CUTA, UGCG, UGT8 ALDH1A1 2257/4885TDP1 3292/4885SMN1; SMN2 1730/4885

“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.