SCHEMBL197029

SCHEMBL197029

[CH2]OC1CC(C)CCC1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TRPA1 O75762 2/20 0.50
TRPM8 Q7Z2W7 2/20 0.50
EPHX1 P07099 3/20 0.46
LMNA P02545 2/20 0.45
NFE2L2 Q16236 1/20 0.44
HPGD P15428 1/20 0.42
CYP19A1 P11511 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX4 Q99571 1/20 0.38
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14480014 1.00 ALDH1A1 (0.57) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL3338170 1.00 ALDH1A1 (0.57) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL12795489 0.83 ALDH1A1 (0.53) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL1076263 0.83 ALDH1A1 (0.56) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL3675071 0.83 ALDH1A1 (0.56) ALDH1A1TRPA1TRPM8EPHX1LMNA
Formaldehyde SCHEMBL7793280 0.82 NFE2L2 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL115394 0.81 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL2609249 0.81 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL21610687 0.81 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA
SCHEMBL3338174 0.81 ALDH1A1 (0.54) ALDH1A1TRPA1TRPM8EPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO claimed
JP-2172955-A None JP disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-118139851-A Antitumor compounds 法马马有限公司 2024-06-04 CN disclosed
WO-2003004456-A1 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES VIA 6-CYANO SYN 3,5-DIHYDROXY HEXANOIC ACID DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2003004455-A2 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, INTERMEDIATES THEREOF AND METHODS FOR THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO disclosed
JP-H02172955-A AMINOALKYL ESTER DERIVATIVE AND USE THEREOF KIRIN BREWERY CO LTD 1990-07-04 JP 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-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 ALDH1A1 2595/4885TRPA1 1173/4885TRPM8 1812/4885
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 ALDH1A1 1929/4885TRPA1 1601/4885TRPM8 899/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885TRPA1 769/4885TRPM8 1191/4885

“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.