SCHEMBL6573289

SCHEMBL6573289

COC(CCCCN)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.39
DNM1 Q05193 6/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
GSR P00390 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL7420541 0.97 DNM1 (0.38) NFKB1DNM1CA12CA1CA2
SCHEMBL6577127 0.97 DNM1 (0.42) NFKB1DNM1CA12CA1CA2
SCHEMBL6575209 0.97 DNM1 (0.42) NFKB1DNM1CA12CA1CA2
SCHEMBL219409 0.92
Ammonia Solution, Strong SCHEMBL7766691 0.89 NFKB1 (0.32) NFKB1DNM1CA12CA1CA2
Hydrochloric Acid SCHEMBL7420560 0.89 DNM1 (0.33) NFKB1DNM1CA12CA1CA2
Iodomethane SCHEMBL4650590 0.86 NFKB1 (0.30) NFKB1
SCHEMBL6298010 0.85 SMPD1 (0.32)
SCHEMBL7934735 0.82 SMPD1 (0.36)
SCHEMBL7934687 0.82 SMPD1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024040745-A1 AMIDE COMPOUND CONTAINING IODO ARYL OR IODO HETEROARYL, AND PREPARATION METHOD THEREFOR AND USE THEREOF 科睿驰(深圳)医疗科技发展有限公司 2024-02-29 WO disclosed
EP-3475257-B1 ACETALANTHRAQUINONE DERIVATIVES USEFUL FOR CELLULAR STAINING BIOSTATUS LTD (GB) 2023-06-07 EP disclosed
EP-3475257-B1 ACETALANTHRAQUINONE DERIVATIVES USEFUL FOR CELLULAR STAINING BIOSTATUS LTD (GB) 2023-06-07 EP disclosed
US-11447638-B2 Acetalanthraquinone derivatives useful for cellular staining BIOSTATUS LIMITED (GB) 2022-09-20 US disclosed
US-11447638-B2 Acetalanthraquinone derivatives useful for cellular staining BIOSTATUS LIMITED (GB) 2022-09-20 US disclosed
US-10759814-B2 Pharmaceutical compositions containing substituted polycyclic pyridone derivatives and prodrug thereof SHIONOGI & CO., LTD. (JP) 2020-09-01 US disclosed
US-20190249011-A1 ACETALANTHRAQUINONE DERIVATIVES USEFUL FOR CELLULAR STAINING BIOSTATUS LIMITED (GB) 2019-08-15 US disclosed
US-20190249011-A1 ACETALANTHRAQUINONE DERIVATIVES USEFUL FOR CELLULAR STAINING BIOSTATUS LIMITED (GB) 2019-08-15 US disclosed
US-20190169206-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF SHIONOGI & CO., LTD. (JP) 2019-06-06 US disclosed
EP-3475257-A1 ACETALANTHRAQUINONE DERIVATIVES USEFUL FOR CELLULAR STAINING Biostatus Limited (GB) 2019-05-01 EP disclosed
WO-2017220969-A1 ACETALANTHRAQUINONE DERIVATIVES USEFUL FOR CELLULAR STAINING BIOSTATUS LIMITED (GB) 2017-12-28 WO disclosed
US-20160207879-A1 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS AND DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES INC (US) 2016-07-21 US disclosed
WO-2015050656-A2 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES, INC. (US) 2015-04-09 WO disclosed
EP-0817776-B1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECH CORP (US) 2004-05-06 EP disclosed
US-5783642-A Coating compositions containing 1,3,5-triazine compounds substituted with acetal and/or cyclized acetal-based groups CYTEC INDUSTRIES INC. (US) 1998-07-21 US disclosed
US-5777040-A Curable compositions containing 1,3,5-triazine compounds substituted with acetal and/or cyclized acetal-based groups CYTEC TECHNOLOGY CORP. (US) 1998-07-07 US disclosed
EP-0817776-A1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECHNOLOGY CORP. (US) 1998-01-14 EP disclosed
US-5672703-A CURING AGENTS CYTEC TECHNOLOGY CORP. (US) 1997-09-30 US disclosed
WO-1996029318-A1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECHNOLOGY CORP. (US) 1996-09-26 WO 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-20190169206-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF TYMP, PNP, CYP3A4 NFKB1 1957/4885DNM1 3963/4885CA12 4580/4885
US-11447638-B2 Acetalanthraquinone derivatives useful for cellular staining ERH, NR2E3, NR0B2 NFKB1 2800/4885DNM1 1992/4885CA12 1060/4885
US-10759814-B2 Pharmaceutical compositions containing substituted polycyclic pyridone derivatives and prodrug thereof TYMP, PNP, CYP3A4 NFKB1 1957/4885DNM1 3963/4885CA12 4580/4885

“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.