SCHEMBL6958650

SCHEMBL6958650

[CH2]CCCOCCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL7630102 0.93 TDP1 (0.35) TDP1ALDH1A1CA12CA1CA2
SCHEMBL7633240 0.91 TDP1 (0.34) TDP1ALDH1A1CA12CA1CA2
SCHEMBL2778608 0.90 LMNA (0.36) ALDH1A1LMNA
SCHEMBL27743005 0.86 LMNA (0.39) LMNA
SCHEMBL6939425 0.85 LMNA (0.50) LMNA
SCHEMBL6141385 0.84
SCHEMBL1244548 0.84 ALDH1A1 (0.42) TDP1ALDH1A1CA12CA1CA2
SCHEMBL31086365 0.84 ALDH1A1 (0.42) TDP1ALDH1A1CA12CA1CA2
SCHEMBL7624531 0.83 LMNA (0.35) ALDH1A1LMNA
SCHEMBL11966891 0.81 LMNA (0.41) TDP1ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353555-A1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION AbbVie Deutschland GmbH & Co. KG (DE) 2021-11-18 US disclosed
EP-3377110-B1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION ABBVIE DEUTSCHLAND (DE) 2021-01-06 EP disclosed
US-20180325833-A1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION AbbVie Deutschland GmbH & Co. KG (DE) 2018-11-15 US disclosed
EP-3377110-A1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION AbbVie Deutschland GmbH & Co. KG (DE) 2018-09-26 EP disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
CN-102482208-A Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
CN-1063442-C Aminothiazole derivatives, drug containing the same and intermediate in the production of the compounds ZERIA PHARM CO LTD (JP) 2001-03-21 CN disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
CN-1184471-A Aminothiazole derivatives, drug containing the same and intermediate in the production of the compounds ZERIA PHARM CO LTD (JP) 1998-06-10 CN disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP 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-20180325833-A1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION CLTA, ACMSD, ALKBH3 TDP1 2445/4885ALDH1A1 366/4885CA12 701/4885
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA TDP1 4296/4885ALDH1A1 923/4885CA12 3754/4885
US-20210353555-A1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION CLTA, ACMSD, ALKBH3 TDP1 2445/4885ALDH1A1 366/4885CA12 701/4885

“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.