SCHEMBL11329643

SCHEMBL11329643

CCC1CCC(C=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.30

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
SCHEMBL21476640 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1HTT
SCHEMBL2911954 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1HTT
SCHEMBL2915127 0.93
SCHEMBL11904134 0.93
SCHEMBL12806026 0.93
SCHEMBL14922899 0.85
SCHEMBL6083462 0.85
SCHEMBL1300087 0.80 CYP2C9 (0.36) ALDH1A1MAPK1
SCHEMBL8488915 0.80 CYP2C9 (0.36) ALDH1A1MAPK1
SCHEMBL11434843 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143777-A1 PEPTIDE-BASED SYNTHETIC CHLORIDE ION TRANSPORTERS TAVANTA THERAPEUTICS HUNGARY INCORPORATED (HU) 2023-08-03 WO disclosed
WO-2019200185-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2019-10-17 WO disclosed
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 US disclosed
EP-2793928-B1 PROCESS FOR PURIFYING A SAMPLE OF H38C2 ANTIBODY PFIZER (US) 2017-03-15 EP disclosed
US-9073864-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2015-07-07 US disclosed
US-20150152052-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-04 US disclosed
CN-103254902-B Fluorine-containing liquid crystal compound containing ethane bridged bond and -CF2O- bridged bond XIAN MODERN CHEMISTRY RES INST 2015-02-11 CN disclosed
CN-103145525-B Synthesis method of 1 - fluoro - 3 - [2 - (trans- 4 - alkyl cyclohexyl) ethyl] benzene XIAN MODERN CHEMISTRY RES INST 2015-02-11 CN disclosed
CN-103242133-B Synthesis method of 4-[2-(trans-4-alkylcyclohexyl)ethyl] bromobenzene XIAN MODERN CHEMISTRY RES INST 2015-02-11 CN disclosed
CN-103242854-B Fluorine-containing liquid crystal compound XI'AN INST. OF MODERN CHEMISTRY (CN) 2014-10-15 CN disclosed
EP-2382995-A2 Ligand conjugates of Vinca alkaloids, analogs and derivatives Endocyte, Inc. (US) 2011-11-02 EP disclosed
EP-2339014-A1 Methods and compositions comprising non-natural amino acids AMBRX, INC. (US) 2011-06-29 EP disclosed
EP-1640433-B1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-08-25 EP disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
CN-1088453-C Fluorine-substituted liquid-crystal compound, liquid-crystal composition and liquid-crystal display device CHISSO CORP (JP) 2002-07-31 CN disclosed
US-4264495-A EXHIBITING GOOD COLOFASTNESS AND DYEABILITY ON POLYAMIDES AND OTHER FIBERS EASTMAN KODAK COMPANY (US) 1981-04-28 US disclosed
US-4247458-A COUPLING DIAZONIUM SALT WITH DISPERSE DYE COUPLER WITH DISPLACEABLE GROUP OTHER THAN HYDROGEN EASTMAN KODAK COMPANY (US) 1981-01-27 US disclosed
US-4070352-A COLORFAST, SUBLIMATION AND OZONE RESISTANT BLUE AZO DYES FOR POLYAMIDES EASTMAN KODAK COMPANY (US) 1978-01-24 US disclosed
US-4053526-A PROCESS FOR ISOLATING DINITRONAPHTHALENES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 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-20150152052-A1 AROMATIC RING COMPOUND GLP1R, GCGR, IAPP ALDH1A1 3434/4885MAPK1 148/4885TDP1 4368/4885
US-20180104220-A1 IMIDAZOLE COMPOUND MAPT, SLC10A2, SLC5A11 ALDH1A1 1316/4885MAPK1 2826/4885TDP1 1221/4885

“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.