SCHEMBL5715864

SCHEMBL5715864

CCCN(C)CCN(C)CCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CA1 P00915 4/20 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
SCHEMBL29580952 1.00 CA12 (0.53) CA12CA2CA9CA14CA3
SCHEMBL29580954 1.00 CA12 (0.53) CA12CA2CA9CA14CA3
SCHEMBL129815 0.96
Hydrochloric Acid SCHEMBL22771623 0.92
SCHEMBL27554512 0.92
Ammonia Solution, Strong SCHEMBL9405419 0.92
Water SCHEMBL27802509 0.92
SCHEMBL10085021 0.89 CA12 (0.44) CA12CA2CA9CA14CA3
SCHEMBL6923407 0.89 CA12 (0.73) CA12CA2CA9CA14CA3
SCHEMBL12929089 0.89 CA12 (0.73) CA12CA2CA9CA14CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030257-B2 Metallocenes and processes for their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-04-18 US claimed
US-20050228189-A1 Novel metallocenes and processes for their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2005-10-13 US claimed
WO-2024112744-A1 CATALYSTS AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2024-05-30 WO disclosed
WO-2023117421-A1 PAINTS CONTAINING DRIERS BASED ON VANADIUM COMPOUNDS BEARING VARIOUS ACID ANIONS BORCHERS GMBH (DE) 2023-06-29 WO disclosed
WO-2023061405-A1 HIGHLY-STABLE TARGETED LINKER-DRUG CONJUGATE 成都科岭源医药技术有限公司 2023-04-20 WO disclosed
US-20170216445-A1 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9545453-B2 CXCR4 inhibiting carriers for nucleic acid delivery WAYNE STATE UNIVERSITY (US) 2017-01-17 US disclosed
US-9545453-B2 CXCR4 inhibiting carriers for nucleic acid delivery WAYNE STATE UNIVERSITY (US) 2017-01-17 US disclosed
US-20160169850-A1 SENSOR MOLECULE UNIV MALTA (MT) 2016-06-16 US disclosed
US-20160115038-A1 METHOD FOR MAKING MOLECULAR SIEVE SSZ-102 CHEVRON U.S.A. INC (US) 2016-04-28 US disclosed
US-20150196032-A1 ANTIVIRAL COMPOSITIONS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-07-16 US disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
WO-2013056250-A2 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY WAYNE STATE UNIVERSITY (US) 2013-04-18 WO disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 US disclosed
US-7879861-B2 4-N-(3-bromophenyl)-6-N-(2-chloroethyl)quinazoline-4,6-diamine, capable of both inhibiting epidermal growth factor receptors and damaging DNA; antitumor and antiproliferative agents MCGILL UNIVERSITY (CA) 2011-02-01 US disclosed
US-7879861-B2 4-N-(3-bromophenyl)-6-N-(2-chloroethyl)quinazoline-4,6-diamine, capable of both inhibiting epidermal growth factor receptors and damaging DNA; antitumor and antiproliferative agents MCGILL UNIVERSITY (CA) 2011-02-01 US disclosed
EP-1735325-A1 STABLE HIGH OXIDATION STATE DIAMINE METALLOCENES AND PROCESSES FOR THEIR PREPARATION Agency for Science, Technology and Research (SG) 2006-12-27 EP disclosed
US-7030257-B2 Metallocenes and processes for their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-04-18 US disclosed
WO-2005100372-A1 STABLE HIGH OXIDATION STATE DIAMINE METALLOCENES AND PROCESSES FOR THEIR PREPARATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2005-10-27 WO disclosed
US-20050228189-A1 Novel metallocenes and processes for their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2005-10-13 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 (5 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 CA12 49/4885CA2 166/4885CA9 285/4885
US-20050228189-A1 Novel metallocenes and processes for their preparation SOD1, GPX4, NOX4 CA12 1003/4885CA2 3551/4885CA9 2519/4885
US-20160169850-A1 SENSOR MOLECULE QSOX1, AOX1, SCO2 CA12 526/4885CA2 124/4885CA9 942/4885
US-20170216445-A1 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY CXCL12, CXCR4, CXCR2 CA12 3135/4885CA2 2835/4885CA9 1910/4885
US-20150196032-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, MAVS, SARS1 CA12 2623/4885CA2 3759/4885CA9 2600/4885

“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.