SCHEMBL12830232

SCHEMBL12830232

CN(C)CCCCCC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61
DNM1 Q05193 3/20 0.50
SIGMAR1 Q99720 2/20 0.41
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.33
KDM4A O75164 6/20 0.32
KDM4C Q9H3R0 6/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23873076 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1SIGMAR1KCNH2
SCHEMBL20646820 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1SIGMAR1KCNH2
SCHEMBL17523760 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1SIGMAR1KCNH2
SCHEMBL17523775 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1SIGMAR1KCNH2
SCHEMBL8282658 0.97 ALDH1A1 (0.56) ALDH1A1TSHRDNM1SIGMAR1KCNH2
SCHEMBL1697340 0.88 ALDH1A1 (0.50) ALDH1A1TSHRDNM1SIGMAR1KCNH2
SCHEMBL17523928 0.80 ACACB (0.44) ALDH1A1TSHRDNM1SIGMAR1KDM4A
SCHEMBL17523927 0.80 ACACB (0.44) ALDH1A1TSHRDNM1SIGMAR1KDM4A
SCHEMBL26455608 0.80 CHRM2 (0.43) ALDH1A1TSHRSIGMAR1LMNA
SCHEMBL26455602 0.80 CHRM2 (0.43) ALDH1A1TSHRSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20150111815-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS S & T GLOBAL INC (US) 2015-04-23 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2013-11-14 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 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 (7 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-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS ALDH1A1 3167/4885TSHR 4841/4885DNM1 2731/4885
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 ALDH1A1 1849/4885TSHR 2122/4885DNM1 2676/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ALDH1A1 2805/4885TSHR 4178/4885DNM1 3328/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 ALDH1A1 1493/4885TSHR 660/4885DNM1 4438/4885
US-20150111815-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TSLP, HLA-DRB1 ALDH1A1 3422/4885TSHR 4835/4885DNM1 2798/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 ALDH1A1 1849/4885TSHR 2122/4885DNM1 2676/4885
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS ALDH1A1 3167/4885TSHR 4841/4885DNM1 2731/4885

“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.