SCHEMBL4996746

SCHEMBL4996746

CC(=O)OCC=CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 2/20 0.32
EPHX2 P34913 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9998013 1.00 CACNA1B (0.40) CACNA1BALDH1A1ALOX15LMNAHSD17B10
SCHEMBL24425895 0.83 ALDH1A1 (0.34) ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL29018522 0.83 CACNA1B (0.40) CACNA1BLMNA
SCHEMBL28450584 0.82 CACNA1B (0.38) CACNA1BALDH1A1EPHX1EPHX2NPSR1
SCHEMBL1646209 0.82 CACNA1B (0.38) CACNA1BALDH1A1LMNAEPHX1EPHX2
SCHEMBL10438900 0.81 ALDH1A1 (0.35) ALDH1A1ALOX15LMNAHSD17B10EPHX1
SCHEMBL28770860 0.81 ALDH1A1 (0.41) CACNA1BALDH1A1EPHX1
SCHEMBL28743600 0.80 ALDH1A1 (0.38) CACNA1BALDH1A1LMNAEPHX2
SCHEMBL11830467 0.77 CACNA1B (0.35) CACNA1BALDH1A1LMNAEPHX1
SCHEMBL11830470 0.77 CACNA1B (0.35) CACNA1BALDH1A1LMNAEPHX1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN claimed
CN-119698458-A Improvements in or relating to organic compounds improvements relating to organic compounds 诺维信公司 2025-03-25 CN disclosed
CN-110300791-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2023-03-31 CN disclosed
CN-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 CACNA1B 1372/4885ALDH1A1 160/4885ALOX15 1402/4885
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 CACNA1B 3931/4885ALDH1A1 672/4885ALOX15 218/4885

“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.