SCHEMBL4401036

SCHEMBL4401036

CCC(C)c1ccc(C)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.64
PTGS1 P23219 1/20 0.64
CACNA1C Q13936 1/20 0.64
GAA P10253 5/20 0.59
ALDH1A1 P00352 3/20 0.59
USP2 O75604 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL97663 0.84 GAA (0.65) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL339877 0.83 GAA (0.63) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL683547 0.83 HSD17B10 (0.69) GAAALDH1A1USP2PKMHPGD
SCHEMBL16736886 0.82 PTGS1 (0.62) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL31545996 0.82 PTGS1 (0.61) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL31545523 0.82 PTGS1 (0.61) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL28161630 0.82 GAA (0.67) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL29503546 0.81 ALDH1A1 (0.50) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL11057467 0.81 ALDH1A1 (0.50) TRPA1PTGS1CACNA1CGAAALDH1A1
SCHEMBL29663703 0.80 GAA (0.59) TRPA1PTGS1CACNA1CGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230296981-A1 RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed
WO-2021241292-A1 ACTIVE-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTIVE-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMATION METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE 富士フイルム株式会社 2021-12-02 WO disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
US-20100151380-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-17 US disclosed
US-20100136481-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100124719-A1 Polymer and Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-20 US disclosed
US-20100081085-A1 Polymer and Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-7521168-B2 Compound that has a reduction potential higher than that of diphenyl iodonium salt and generates an acid upon irradiation of an actinic ray or radiation. FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
US-7432034-B2 Negative resist composition FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed
US-20080241745-A1 Mixture of alkali soluble polymer, crosslinking agent, acid generator ; radiation with actinic radiation; quaternary ammonium compound FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-7179579-B2 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
US-7179579-B2 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
WO-1999029812-A1 COAL BINDER PRODUCED BY LIQUEFACTION OF BIOMASS WASTE TECHNOLOGY TRANSFER, INC. (US) 1999-06-17 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP TRPA1 4274/4885PTGS1 189/4885CACNA1C 4801/4885
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TRPA1 1054/4885PTGS1 1624/4885CACNA1C 506/4885

“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.