SCHEMBL6958648

SCHEMBL6958648

CCC[CH]OCCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL6969870 0.86 LMNA (0.32)
SCHEMBL7630095 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7633237 0.85 CNR1 (0.34) ALDH1A1
SCHEMBL17048649 0.82
SCHEMBL125677 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4505717 0.80
SCHEMBL126481 0.77 ADRB2 (0.32)
SCHEMBL65918 0.76
SCHEMBL7624527 0.76 TSHR (0.31) ALDH1A1
SCHEMBL2152975 0.75

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 19 patents. 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
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US 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
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
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 (4 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 ALDH1A1 366/4885CA12 701/4885CA1 2725/4885
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA ALDH1A1 923/4885CA12 3754/4885CA1 3025/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 ALDH1A1 3717/4885CA12 3864/4885CA1 2316/4885
US-20210353555-A1 NANOPARTICLES BASED ON OPTIONALLY ALKOXYLATED POLY(ALKYL CYANOACRYLATES) HAVING A DEFINED DEGREE OF POLYMERIZATION CLTA, ACMSD, ALKBH3 ALDH1A1 366/4885CA12 701/4885CA1 2725/4885

“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.