SCHEMBL3062038

SCHEMBL3062038

NCCCNCCNCCNCCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 2/20 1.00
▸ CA12 O43570 5/20 0.86
▸ CA6 P23280 5/20 0.86
▸ CA7 P43166 5/20 0.86
▸ CA9 Q16790 5/20 0.86
▸ CA14 Q9ULX7 5/20 0.86
▸ CA5B Q9Y2D0 5/20 0.86
▸ CA2 P00918 4/20 0.86
▸ CA4 P22748 4/20 0.86
▸ CA5A P35218 4/20 0.86
▸ ALOX15 P16050 3/20 0.86
▸ F13A1 P00488 2/20 0.86
▸ CYP1A2 P05177 2/20 0.86
▸ THPO P40225 2/20 0.86
▸ MEN1 O00255 2/20 0.86
▸ RECQL P46063 2/20 0.86
▸ KMT2A Q03164 2/20 0.86
▸ CYP2C19 P33261 1/20 0.86
▸ HSD17B10 Q99714 1/20 0.86
▸ CA3 P07451 3/20 0.80

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
SCHEMBL3995570 1.00 CASP2 (1.00) CASP2CA12CA6CA7CA9
Norspermidine SCHEMBL6906314 1.00 CASP2 (1.00) CASP2CA12CA6CA7CA9
SCHEMBL20976 1.00 CASP2 (1.00) CASP2CA12CA6CA7CA9
SCHEMBL1888585 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9
SCHEMBL19179132 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9
Norspermidine SCHEMBL10620364 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9
Thermine SCHEMBL8837088 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9
SCHEMBL15226686 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9
Trientine SCHEMBL8736113 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9
Hydrochloric Acid SCHEMBL8977288 0.96 CASP2 (0.93) CASP2CA12CA6CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310832-B1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS EVONIK OPERATIONS GMBH (DE) 2023-10-11 — — EP claimed
US-10899985-B2 Amine alkenyl substituted succinimide reaction product fuel additives, compositions, and methods EVONIK OPERATIONS GMBH (DE) 2021-01-26 — — US claimed
US-10899986-B2 Substituted Mannich base fuel additives, compositions, and methods EVONIK OPERATIONS GMBH (DE) 2021-01-26 — — US claimed
US-10696777-B2 Aldehyde scavengers mixtures for polyurethane foams EVONIK OPERATIONS GMBH (DE) 2020-06-30 — — US claimed
US-10676564-B2 Amidoamine and polyamide curing agents, compositions, and methods EVONIK OPERATIONS GMBH (DE) 2020-06-09 — — US claimed
EP-3504303-B1 SUBSTITUTED MANNICH BASE FUEL ADDITIVES, COMPOSITIONS, AND METHODS EVONIK OPERATIONS GMBH (DE) 2020-04-01 — — EP claimed
EP-3411421-B1 AMIDOAMINE AND POLYAMIDE CURING AGENTS, COMPOSITIONS, AND METHODS EVONIK OPERATIONS GMBH (DE) 2019-12-25 — — EP claimed
EP-3504304-A1 AMINE ALKENYL SUBSTITUTED SUCCINIMIDE REACTION PRODUCT FUEL ADDITIVES, COMPOSITIONS, AND METHODS Evonik Degussa GmbH (DE) 2019-07-03 — — EP claimed
EP-3504303-A1 SUBSTITUTED MANNICH BASE FUEL ADDITIVES, COMPOSITIONS, AND METHODS Evonik Degussa GmbH (DE) 2019-07-03 — — EP claimed
US-20190169514-A1 AMINE ALKENYL SUBSTITUTED SUCCINIMIDE REACTION PRODUCT FUEL ADDITIVES, COMPOSITIONS, AND METHODS EVONIK OPERATIONS GMBH (DE) 2019-06-06 — — US claimed
US-20190169515-A1 SUBSTITUTED MANNICH BASE FUEL ADDITIVES, COMPOSITIONS, AND METHODS EVONIK OPERATIONS GMBH (DE) 2019-06-06 — — US claimed
EP-3411421-A1 AMIDOAMINE AND POLYAMIDE CURING AGENTS, COMPOSITIONS, AND METHODS Evonik Degussa GmbH (DE) 2018-12-12 — — EP claimed
EP-3310832-A1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS Evonik Degussa GmbH (DE) 2018-04-25 — — EP claimed
WO-2018039563-A1 SUBSTITUTED MANNICH BASE FUEL ADDITIVES, COMPOSITIONS, AND METHODS EVONIK DEGUSSA GMBH (DE) 2018-03-01 — — WO claimed
WO-2018039571-A1 AMINE ALKENYL SUBSTITUTED SUCCINIMIDE REACTION PRODUCT FUEL ADDITIVES, COMPOSITIONS, AND METHODS EVONIK DEGUSSA GMBH (DE) 2018-03-01 — — WO claimed
WO-2017136333-A1 AMIDOAMINE AND POLYAMIDE CURING AGENTS, COMPOSITIONS, AND METHODS EVONIK DEGUSSA GMBH (DE) 2017-08-10 — — WO claimed
US-20170218115-A1 AMIDOAMINE AND POLYAMIDE CURING AGENTS, COMPOSITIONS, AND METHODS EVONIK OPERATIONS GMBH (DE) 2017-08-03 — — US claimed
WO-2016205436-A1 ALDEHYDE SCAVENGERS MIXTURES FOR POLYURETHANE FOAMS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-12-22 — — WO claimed
US-20250051587-A1 COATINGS JOTUN A/S (NO) 2025-02-13 — — US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — 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 (2 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-10899986-B2 Substituted Mannich base fuel additives, compositions, and methods H1-2, H1-0, H1-3 CASP2 3463/4885CA12 550/4885CA6 2936/4885
US-10676564-B2 Amidoamine and polyamide curing agents, compositions, and methods NAAA, FAAH2, H1-2 CASP2 1509/4885CA12 2527/4885CA6 3163/4885

“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.

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