SCHEMBL3317690

SCHEMBL3317690

CC(C)(C)NCCCCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL18555657 0.97 TDP1 (0.45) TDP1HRH4HRH3POLBSMN1; SMN2
SCHEMBL18555820 0.97 TDP1 (0.45) TDP1HRH4HRH3POLBSMN1; SMN2
SCHEMBL27760960 0.97 TDP1 (0.45) TDP1HRH4HRH3POLBSMN1; SMN2
Water SCHEMBL3307446 0.97 TDP1 (0.41) TDP1HRH4HRH3POLBSMN1; SMN2
SCHEMBL3313068 0.97 TDP1 (0.45) TDP1HRH4HRH3POLBSMN1; SMN2
SCHEMBL2000597 0.92
Water SCHEMBL3302088 0.89 PTGS1 (0.36) TDP1HRH4HRH3POLBSMN1; SMN2
Bromide SCHEMBL21248489 0.89 PTGS1 (0.36) TDP1HRH4HRH3POLBSMN1; SMN2
SCHEMBL22932144 0.87 CYP4F2 (0.42) TDP1HRH4HRH3POLBALDH1A1
Formic Acid SCHEMBL27760962 0.87 TDP1 (0.43) TDP1HRH4HRH3POLBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118059941-A Coordination metal catalyst, preparation method and application thereof, hindered amine and preparation method thereof 中国石油天然气股份有限公司 2024-05-24 CN claimed
CN-118022517-A Desulfurizing agent for absorbing hydrogen sulfide and organic sulfur under normal pressure and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-14 CN claimed
CN-107073386-B Removal of carbon dioxide from fluid streams using tert-butylamine and an activator 巴斯夫欧洲公司 2020-07-03 CN claimed
US-10279309-B2 Removal of carbon dioxide from a fluid flow BASF SE (DE) 2019-05-07 US claimed
EP-3185990-B1 REMOVAL OF CARBON DIOXIDE FROM A FLUID FLOW, USING A TERT BUTYLAMINE AND AN ACTIVATOR BASF SE (DE) 2018-10-17 EP claimed
US-20170282116-A1 REMOVAL OF CARBON DIOXIDE FROM A FLUID FLOW BASF SE (DE) 2017-10-05 US claimed
CN-107073386-A Carbon dioxide is removed from fluid stream using tert-butylamine and activator 巴斯夫欧洲公司 2017-08-18 CN claimed
EP-3185990-A2 REMOVAL OF CARBON DIOXIDE FROM A FLUID FLOW, USING A TERT BUTYLAMINE AND AN ACTIVATOR BASF SE (DE) 2017-07-05 EP claimed
CN-118059941-A Coordination metal catalyst, preparation method and application thereof, hindered amine and preparation method thereof 中国石油天然气股份有限公司 2024-05-24 CN disclosed
CN-118022517-A Desulfurizing agent for absorbing hydrogen sulfide and organic sulfur under normal pressure and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-14 CN disclosed
CN-117902991-A Sterically hindered amine, desulfurization solvent and preparation method 中国石油天然气股份有限公司 2024-04-19 CN disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11773065-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-03 US disclosed
WO-1997014710-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS MCGILL UNIVERSITY (US) 1997-04-24 WO disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-4788277-A OXIDATIVE COUPLING, CATALYST CONTAINING COPPER, DIAMINE, HALOGEN ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-11-29 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 (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-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof ALK, NTRK1, ERBB2 TDP1 2371/4885HRH4 2239/4885HRH3 2260/4885
US-11773065-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists GPR52, GPR68, GPR65 TDP1 4390/4885HRH4 151/4885HRH3 300/4885

“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.