SCHEMBL94117

SCHEMBL94117

CCCCC(CC)C(=O)OOOC(C)(C)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 4/20 0.45
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.34
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP12 P39900 1/20 0.32
ECE1 P42892 1/20 0.32
MMP13 P45452 1/20 0.32
NAAA Q02083 1/20 0.32

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
Hexane SCHEMBL28089379 0.99 CA2 (0.44) CA2CA1MAPK1GAAXBP1
SCHEMBL29085590 0.93 CA2 (0.40) CA2CA1MAPK1GAAXBP1
SCHEMBL22418817 0.92 CA2 (0.47) CA2CA1MAPK1GAAXBP1
SCHEMBL27526942 0.86 CA2 (0.50) CA2CA1MAPK1GAAXBP1
2-Ethylhexanoic Acid SCHEMBL27535370 0.82 CA2 (0.57) CA2CA1MAPK1PPARG
SCHEMBL29167267 0.82 CA2 (0.33) CA2CA1MAPK1PPARG
SCHEMBL37317 0.78 CA2 (0.58) CA2CA1MAPK1GAAXBP1
SCHEMBL29244260 0.77 CA2 (0.46) CA2CA1MAPK1GAAXBP1
SCHEMBL4608949 0.77 NAAA (0.50) MAPK1L3MBTL1NAAA
SCHEMBL28127359 0.76 CA2 (0.68) CA2CA1MAPK1GAAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170102347-A1 BIOCHEMICAL TEST CHIP APEX BIOTECHNOLOGY CORP. (TW) 2017-04-13 US claimed
EP-3153857-A1 BIOCHEMICAL TEST CHIP Apex Biotechnology Corporation (TW) 2017-04-12 EP claimed
US-8173048-B2 Composition for circuit connection film and circuit connection film using the same CHEIL INDUSTRIES, INC. (KR) 2012-05-08 US claimed
US-20100148130-A1 Composition for circuit connection film and circuit connection film using the same KUKDO ADVANCED MATERIALS CO., LTD. (KR) 2010-06-17 US claimed
US-6316563-B2 FOR OBTAINING A HIGHLY ION-CONDUCTIVE SOLID POLYMER ELECTROLYTE WHICH IS USED IN BATTERY OR ELECTRIC DOUBLE LAYER CAPACITORS SHOWA DENKO K.K. (JP) 2001-11-13 US claimed
US-6051617-A POLYPROPYLENE RESIN GRAFT POLYMERIZED TO VINYL COMONOMER JSP CORPORATION (JP) 2000-04-18 US claimed
JP-4328112-A None JP disclosed
JP-7216007-A None JP disclosed
US-20260144714-A1 KIT FOR PREPARING CURABLE COMPOSITION FOR DENTAL MATERIAL, CURABLE COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2026-05-28 US disclosed
WO-2026100231-A1 CURABLE RESIN COMPOSITION, ADHESIVE, SEALING MATERIAL, CURED PRODUCT, SEMICONDUCTOR DEVICE, AND ELECTRONIC COMPONENT ナミックス株式会社 2026-05-15 WO disclosed
EP-4258342-B1 TWO-COMPONENT CURABLE COMPOSITION AND CURED PRODUCT THEREOF COSMO OIL LUBRICANTS CO LTD (JP) 2026-04-01 EP disclosed
US-12577432-B2 Organosilicon compound, production method therefor, and curable composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-03-17 US disclosed
US-12565608-B2 Thermally conductive resin composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-03-03 US disclosed
US-6165549-A Process for producing solvent-free acrylic sheet SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2000-12-26 US disclosed
EP-1057843-A1 Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) 2000-12-06 EP disclosed
US-6051617-A POLYPROPYLENE RESIN GRAFT POLYMERIZED TO VINYL COMONOMER JSP CORPORATION (JP) 2000-04-18 US disclosed
EP-0979854-A1 CIRCUIT CONNECTING MATERIAL, AND STRUCTURE AND METHOD OF CONNECTING CIRCUIT TERMINAL HITACHI CHEMICAL COMPANY, LTD. (JP) 2000-02-16 EP disclosed
EP-0823443-A2 Foamed particles of modified polypropylene resin and method of preparing same JSP CORPORATION (JP) 1998-02-11 EP disclosed
JP-H07216007-A PRODUCTION OF METHACRYLIC RESIN KURARAY CO LTD 1995-08-15 JP disclosed
JP-H04328112-A PRODUCTION OF VARNISH FOR PAINT NIPPON OIL & FATS CO LTD 1992-11-17 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-12565608-B2 Thermally conductive resin composition ITGAM, RAE1, FCGR1A CA2 1047/4885CA1 1109/4885MAPK1 721/4885
US-20260144714-A1 KIT FOR PREPARING CURABLE COMPOSITION FOR DENTAL MATERIAL, CURABLE COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL CAD, KIT, ILK CA2 1517/4885CA1 291/4885MAPK1 1869/4885
US-12577432-B2 Organosilicon compound, production method therefor, and curable composition ASH2L, DOT1L, DNMT3L CA2 145/4885CA1 13/4885MAPK1 2998/4885

“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.