SCHEMBL6885804

SCHEMBL6885804

CN1CCCCCCCCC1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.80
BRD2 P25440 1/20 0.80
ACHE P22303 1/20 0.41
INMT O95050 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
PSMD14 O00487 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MITF O75030 1/20 0.36
PIK3CD O00329 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8300693 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL26047692 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL26047696 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL6886758 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL1626056 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL14747422 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL329328 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL26047693 1.00 BRD4 (0.80) BRD4BRD2ACHEINMTMAPT
SCHEMBL54926 1.00
Hydrochloric Acid SCHEMBL17238240 0.97 BRD4 (0.76) BRD4BRD2ACHEINMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO disclosed
EP-3131962-B1 COMPOSITION FOR RHEOLOGY CONTROL BYK CHEMIE GMBH (DE) 2018-04-18 EP disclosed
WO-2016054621-A1 FUNCTIONALIZED SILANES AND ELECTROLYTE COMPOSITIONS AND ELECTROCHEMICAL DEVICES CONTAINING THEM SILATRONIX, INC. (US) 2016-04-07 WO disclosed
US-8742120-B2 Methods of preparing factor xa inhibitors and salts thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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 (3 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 BRD4 713/4885BRD2 2249/4885ACHE 2266/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 BRD4 713/4885BRD2 2249/4885ACHE 2266/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 BRD4 2882/4885BRD2 2755/4885ACHE 1447/4885

“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.