SCHEMBL1133217

SCHEMBL1133217

C1=CCC(C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL868507 1.00 ALDH1A1 (0.42) ALDH1A1ALOX15HSD17B10LMNATP53
SCHEMBL2001108 0.97 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10LMNATP53
SCHEMBL14759977 0.97 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10LMNATP53
SCHEMBL29847413 0.92 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10LMNATP53
SCHEMBL8463890 0.86 ALDH1A1 (0.44) ALDH1A1ALOX15
SCHEMBL1524920 0.86
SCHEMBL6155112 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4E
SCHEMBL122871 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4E
SCHEMBL5693055 0.86 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10LMNATP53
SCHEMBL596635 0.86 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199957-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-06-20 US claimed
EP-4073205-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-06-12 EP claimed
US-20240124780-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-04-18 US claimed
US-20240124779-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-04-18 US claimed
EP-4041846-B1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2024-04-17 EP claimed
EP-3784752-B1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2024-04-17 EP claimed
US-11959007-B2 Dielectric materials MERCK PATENT GMBH (DE) 2024-04-16 US claimed
US-20240117249-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-04-11 US claimed
US-20240101903-A1 HETEROCYCLIC COMPOUNDS FOR LIQUID CRYSTALS MERCK PATENT GMBH (DE) 2024-03-28 US claimed
EP-4332198-A1 HETEROCYCLIC COMPOUNDS FOR LIQUID CRYSTALS Merck Patent GmbH (DE) 2024-03-06 EP claimed
EP-1873228-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT, AND OPTICAL HEAD DEVICE ASAHI GLASS CO LTD (JP) 2011-03-09 EP claimed
US-7534370-B2 Polymerizable liquid crystal composition, optical anisotropic material, optical element and optical head device ASAHI GLASS COMPANY, LIMITED (JP) 2009-05-19 US claimed
US-20090117292-A1 CHOLESTERIC LIQUID CRYSTAL COMPOSITION, CIRCULAR POLARIZATION SEPARATOR SHEET AND USE THEREOF ZEON CORPORATION (JP) 2009-05-07 US claimed
EP-2036969-A1 CHOLESTERIC LIQUID-CRYSTAL COMPOSITION, CIRCULAR POLARIZATION SEPARATION SHEET, AND USE THEREOF ZEON CORPORATION (JP) 2009-03-18 EP claimed
US-20080048149-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2008-02-28 US claimed
EP-1873228-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT, AND OPTICAL HEAD DEVICE Asahi Glass Company, Limited (JP) 2008-01-02 EP claimed
US-6358574-B1 CROSSLINKED POLYSILOXANES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-03-19 US claimed
EP-1016703-B1 Liquid crystalline silicones with improved UV stability CONSORTIUM ELEKTROCHEM IND (DE) 2002-02-06 EP claimed
EP-0887399-B1 Silicones having a low glass transition temperature CONSORTIUM ELEKTROCHEM IND (DE) 2001-11-28 EP claimed
US-6040411-A Low glass temperature organosiloxanes CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-03-21 US claimed

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-20240124780-A1 HETEROAROMATIC ISOTHIOCYANATES TRPA1, CRY1, FOXM1 ALDH1A1 1450/4885ALOX15 4077/4885HSD17B10 4385/4885
US-20240117249-A1 AROMATIC ISOTHIOCYANATES TRPA1, FOXM1, MAFG ALDH1A1 2000/4885ALOX15 4657/4885HSD17B10 4761/4885
US-20240101903-A1 HETEROCYCLIC COMPOUNDS FOR LIQUID CRYSTALS CCNI, MCM2, MCM3 ALDH1A1 2670/4885ALOX15 2433/4885HSD17B10 3899/4885

“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.