SCHEMBL3404841

SCHEMBL3404841

Cc1c(C)c(C)c(OCC(C)C)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.35
SCN5A Q14524 3/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
SCN7A Q01118 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
SCHEMBL25331313 0.85 SCN5A (0.38) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL25329836 0.77 SCN5A (0.33) SCN5A
SCHEMBL25331693 0.75 SCN5A (0.35) SCN5ALMNACYP1A2MEN1KMT2A
SCHEMBL29707444 0.74 SCN4A (0.52) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL28820152 0.73 KMT2A (0.42) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL25328924 0.73 SCN5A (0.47) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL30356486 0.71 SCN5A (0.33) SCN5A
SCHEMBL25329331 0.71 SCN5A (0.33) SCN5A
SCHEMBL8238232 0.70 SCN4A (0.70) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL13676826 0.70 ALDH1A1 (0.32) SCN4ASCN5ALMNASCN1ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256521-A1 TOPICAL FORMULATIONS AND USES THEREOF OCULAR TECHNOLOGIES SARL (CH) 2016-09-08 US disclosed
US-9315447-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2016-04-19 US disclosed
US-20150165048-A1 TOPICAL FORMULATIONS AND USES THEREOF SUN PHARMA GLOBAL FZE (AE) 2015-06-18 US disclosed
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2014-09-18 US disclosed
US-8673881-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2014-03-18 US disclosed
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION RESOLVYX PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2012-04-26 US disclosed
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE RESOLVYX PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20100035989-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUCOSITIS RESOLVYX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20090137527-A1 Compositions and methods for modulating immune function RESOLVYX PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20090118243-A1 Compositions and methods for the treatment of ophthalmic conditions RESOLVYX PHARMACEUTICALS, INC. (US) 2009-05-07 US disclosed
US-20080161274-A1 Compounds and methods for inhibition of bone loss RESOLVYX PHARMACEUTICALS, INC. (US) 2008-07-03 US disclosed
US-20080161275-A1 Compositions and methods for the treatment of inflammatory disease RESOLVYX PHARMACEUTICALS, INC. (US) 2008-07-03 US disclosed
US-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease RESOLVYX PHARMACEUTICALS, INC. (US) 2007-11-01 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 (12 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-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease ALOX15B, ALOX5, ALOX15 SCN4A 4629/4885SCN5A 2874/4885LMNA 303/4885
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 SCN4A 4531/4885SCN5A 4594/4885LMNA 1331/4885
US-20080161275-A1 Compositions and methods for the treatment of inflammatory disease ALOX15B, ALOX12, ALOX15 SCN4A 4032/4885SCN5A 2601/4885LMNA 812/4885
US-20150165048-A1 TOPICAL FORMULATIONS AND USES THEREOF LIPA, MGLL, LIPC SCN4A 4247/4885SCN5A 3378/4885LMNA 987/4885
US-20090118243-A1 Compositions and methods for the treatment of ophthalmic conditions ALOX15B, ALOX5, ALOX12 SCN4A 4116/4885SCN5A 1939/4885LMNA 571/4885
US-20080161274-A1 Compounds and methods for inhibition of bone loss ALOX15B, ALOX5, ALOX12 SCN4A 4793/4885SCN5A 4000/4885LMNA 891/4885
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE ALOX15B, ALOX12, ALOX15 SCN4A 4187/4885SCN5A 3128/4885LMNA 623/4885
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 SCN4A 4531/4885SCN5A 4594/4885LMNA 1331/4885
US-20160256521-A1 TOPICAL FORMULATIONS AND USES THEREOF LIPA, MGLL, LIPC SCN4A 4247/4885SCN5A 3378/4885LMNA 987/4885
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION ALOX5, ALOX15B, ALOX12 SCN4A 4686/4885SCN5A 3967/4885LMNA 327/4885
US-20100035989-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUCOSITIS ALOX15B, ALOX5, ALOX12 SCN4A 4644/4885SCN5A 2610/4885LMNA 1692/4885
US-20090137527-A1 Compositions and methods for modulating immune function ALOX15B, ALOX12, ALOX5 SCN4A 4255/4885SCN5A 3154/4885LMNA 1785/4885

“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.