SCHEMBL12341237

SCHEMBL12341237

CC(C)(C)CCCCC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12341240 0.92 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL9135019 0.81
Hydrochloric Acid SCHEMBL11760779 0.79 SPHK2 (0.39) SPHK2SPHK1ALDH1A1
SCHEMBL7851689 0.78 SPHK2 (0.67) SPHK2SPHK1
SCHEMBL9065 0.77 KMT2A (0.40) ALDH1A1
SCHEMBL989053 0.76 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL988370 0.76 SPHK2 (0.48) SPHK2SPHK1
Guanidine SCHEMBL18009721 0.76 TSHR (0.48) ALDH1A1
SCHEMBL22271556 0.75 SOAT1 (0.43) ALDH1A1
SCHEMBL10722958 0.75 SOAT1 (0.43) ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943614-B2 Cationic steroid antimicrobial diagnostic, detection, screening and imaging methods BRIGHAM YOUNG UNIVERSITY (US) 2018-04-17 US disclosed
US-20180036217-A1 MOUSSE-TYPE COSMETIC COMPOSITION CONTAINING SCORIA AMOREPACIFIC CORPORATION (KR) 2018-02-08 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 US disclosed
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. 2016-01-28 US disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150337003-A1 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION CORTENDO AB (PUBL) 2015-11-26 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
US-20130034500-A1 Cationic Steroid Antimicrobial Compositions and Methods of Use SAVAGE PAUL B (US) 2013-02-07 US disclosed
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-8211879-B2 Cationic steroid antimicrobial compositions and methods of use BRIGHAM YOUNG UNIVERSITY (US) 2012-07-03 US disclosed
US-20110130327-A1 Multi-Arm Amines and Uses Thereof MARINA BIOTECH, INC. (US) 2011-06-02 US disclosed
US-20110091376-A1 CATATONIC STEROID ANTIMICROBIAL DIAGNOSTIC, DETECTION, SCREENING AND IMAGING METHODS BRIGHAM YOUNG UNIVERSITY (US) 2011-04-21 US disclosed
US-20100330086-A1 CATIONIC STEROID ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SPHK2 1590/4885SPHK1 1846/4885ALDH1A1 2392/4885
US-20100330086-A1 CATIONIC STEROID ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE CCL5, PRF1, NR3C1 SPHK2 2747/4885SPHK1 1687/4885ALDH1A1 4393/4885
US-20110130327-A1 Multi-Arm Amines and Uses Thereof SNRPE, SNRPA, ADAR SPHK2 2598/4885SPHK1 2862/4885ALDH1A1 3803/4885
US-20180036217-A1 MOUSSE-TYPE COSMETIC COMPOSITION CONTAINING SCORIA CUTA, MC1R, MSN SPHK2 2977/4885SPHK1 2939/4885ALDH1A1 3383/4885
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX SPHK2 1033/4885SPHK1 514/4885ALDH1A1 4444/4885
US-20130034500-A1 Cationic Steroid Antimicrobial Compositions and Methods of Use CCL5, PRF1, NR3C1 SPHK2 2747/4885SPHK1 1687/4885ALDH1A1 4393/4885
US-20150337003-A1 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION CYP46A1, CYP11B2, CYP11B1 SPHK2 3142/4885SPHK1 3136/4885ALDH1A1 3763/4885
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B SPHK2 927/4885SPHK1 1019/4885ALDH1A1 2961/4885
US-20110091376-A1 CATATONIC STEROID ANTIMICROBIAL DIAGNOSTIC, DETECTION, SCREENING AND IMAGING METHODS HSD17B13, S100A11, CYP2A13 SPHK2 2266/4885SPHK1 1598/4885ALDH1A1 3121/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 SPHK2 995/4885SPHK1 1081/4885ALDH1A1 2827/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX SPHK2 3826/4885SPHK1 3521/4885ALDH1A1 1651/4885
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF POLI, POLL, POLRMT SPHK2 3522/4885SPHK1 3451/4885ALDH1A1 905/4885

“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.