SCHEMBL5962431

SCHEMBL5962431

CC(C)N1CCOCCOCCOCCOCCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
HRH3 Q9Y5N1 4/20 0.37
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
KCNA5 P22460 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
TTR P02766 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL18085476 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PKMHRH3PRKCGPRKCB
SCHEMBL14261286 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PKMHRH3PRKCGPRKCB
SCHEMBL24590305 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PKMHRH3PRKCGPRKCB
SCHEMBL57306 0.97
SCHEMBL8648295 0.97
SCHEMBL21954031 0.97 HRH3 (0.38) SMN1; SMN2PKMHRH3PRKCGPRKCB
Hydrochloric Acid SCHEMBL2139284 0.94 PRKCG (0.40) SMN1; SMN2PKMHRH3PRKCGPRKCB
Bromide SCHEMBL8912653 0.94 HRH3 (0.37) SMN1; SMN2PKMHRH3PRKCGPRKCB
SCHEMBL441543 0.87 PRKCG (0.37) SMN1; SMN2PKMHRH3PRKCGPRKCB
SCHEMBL10237822 0.85 ALDH1A1 (0.38) SMN1; SMN2PKMHRH3PRKCGPRKCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-20180092938-A1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-04-05 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9833468-B2 Methods for treating progeroid laminopathies using oligonucleotide analogues targeting human LMNA SAREPTA THERAPEUTICS, INC. (US) 2017-12-05 US disclosed
US-9790499-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (10 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 SMN1; SMN2 4749/4885PKM 2800/4885HRH3 2698/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 SMN1; SMN2 4749/4885PKM 2800/4885HRH3 2698/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 SMN1; SMN2 4590/4885PKM 3338/4885HRH3 374/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 SMN1; SMN2 3990/4885PKM 1758/4885HRH3 2514/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885PKM 2328/4885HRH3 373/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 SMN1; SMN2 3947/4885PKM 2378/4885HRH3 2060/4885
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B SMN1; SMN2 4629/4885PKM 479/4885HRH3 1755/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 SMN1; SMN2 3819/4885PKM 1881/4885HRH3 1710/4885
US-20180092938-A1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA LMNB2, LMNA, LMNB1 SMN1; SMN2 23/4885PKM 3828/4885HRH3 4527/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 SMN1; SMN2 2955/4885PKM 2328/4885HRH3 373/4885

“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.