SCHEMBL3189950

SCHEMBL3189950

CN(C)C(=O)CCCCCCC(=O)N(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.70
▸ CHRNB2 P17787 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KDM4A O75164 11/20 0.43
▸ KDM4C Q9H3R0 11/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM7A Q6ZMT4 1/20 0.43
▸ PHF8 Q9UPP1 1/20 0.43
▸ KDM2A Q9Y2K7 1/20 0.43
▸ TBXAS1 P24557 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ PMP22 Q01453 1/20 0.40

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
SCHEMBL131476 0.97 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL5948495 0.90 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL16945134 0.89 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL2484949 0.89 ALDH1A1 (0.81) ALDH1A1TSHR
SCHEMBL13714936 0.89 ALDH1A1 (0.81) ALDH1A1TSHR
SCHEMBL168532 0.89 ALDH1A1 (0.81) ALDH1A1TSHR
SCHEMBL20993533 0.89 TSHR (0.60) ALDH1A1LMNAKDM4AKDM4CKDM5A
SCHEMBL21703159 0.89 TSHR (0.60) ALDH1A1LMNAKDM4AKDM4CKDM5A
SCHEMBL22406917 0.89 ALDH1A1 (0.81) ALDH1A1TSHR
SCHEMBL9162783 0.89 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 — — US claimed
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 — — US disclosed
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides EVONIK DEGUSSA GMBH (DE) 2016-09-22 — — US disclosed
US-7670631-B2 Method for the prevention of malaria infection of humans by hepatocyte growth factor antagonists ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2010-03-02 — — US disclosed
EP-1601378-A2 A METHOD FOR THE PREVENTION OF MALARIA INFECTION OF HUMANS BY HEPATOCYTE GROWTH FACTOR ANTAGONISTS Instituto Gulbenkian de Ciencia (PT) 2005-12-07 — — EP disclosed
WO-2004080420-A2 A METHOD FOR THE PREVENTION OF MALARIA INFECTION OF HUMANS BY HEPATOCYTE GROWTH FACTOR ANTAGONISTS INSTITUTO GULBENKIAN DE CIENCIA (PT) 2004-09-23 — — WO disclosed
US-20040185050-A1 Method for the prevention of malaria infection of humans by hepatocyte growth factor antagonists ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS LDA. (PT) 2004-09-23 — — US disclosed
EP-0594577-B1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF SLOAN KETTERING INST CANCER (US) 1998-12-30 — — EP disclosed
US-5840960-A ANTITUMOR SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-11-24 — — US disclosed
US-5608108-A ANTITUMOR AGENTS; LUNG, BLADDER, KIDNEY, BREAST, COLORECTAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-03-04 — — US disclosed
EP-0594577-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1994-05-04 — — EP disclosed
US-5175191-A Antitumor agents or anticancer agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-12-29 — — US disclosed
US-5055608-A Antitumor, anticarcinogenic agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-10-08 — — US disclosed
WO-1991008191-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-06-13 — — WO disclosed
WO-1991000257-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1991-01-10 — — WO disclosed
WO-1990009092-A2 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1990-08-23 — — 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 (1 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-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides DAO, DDC, HDGF ALDH1A1 2121/4885CHRNB2 4090/4885CHRNB4 4170/4885

“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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