SCHEMBL2113918

SCHEMBL2113918

CC1(C)CC(=O)C=C(C(=O)O)O1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 19/20 0.45
HCAR3 P49019 14/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL15478105 0.85 ALDH1A1 (0.38) HCAR2HCAR3CYP1A2
SCHEMBL986535 0.83 ALDH1A1 (0.40) HCAR2HCAR3CYP1A2
SCHEMBL7529474 0.80 KDM4E (0.38) HCAR2HCAR3CYP1A2
SCHEMBL2258560 0.79 ALDH1A1 (0.38) HCAR2HCAR3
SCHEMBL31263237 0.76 ALDH1A1 (0.41)
SCHEMBL9062662 0.74 TSHR (0.41) HCAR2HCAR3
Butopyronoxyl SCHEMBL121985 0.72 TSHR (0.42) CYP1A2
SCHEMBL6814719 0.71 KMT2A (0.37) CYP1A2
SCHEMBL11299505 0.69 HCAR2 (0.58) HCAR2HCAR3CYP1A2
SCHEMBL12519883 0.68 LMNA (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118558143-B Method for preparing nanofiltration membrane based on pyrone acidic molecular additive regulation 东华理工大学 2024-12-20 CN claimed
CN-118558143-A Method for preparing nanofiltration membrane based on pyrone acidic molecular additive regulation 东华理工大学 2024-08-30 CN claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US claimed
JP-1157993-A None JP disclosed
EP-0219852-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-04-29 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 HCAR2 3310/4885HCAR3 2155/4885CYP1A2 1066/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 HCAR2 2828/4885HCAR3 2668/4885CYP1A2 968/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS HCAR2 219/4885HCAR3 395/4885CYP1A2 312/4885

“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.