SCHEMBL3314632

SCHEMBL3314632

CCc1cccc(C=Cc2ccccc2)c1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.51
NFE2L2 Q16236 3/20 0.44
TRPA1 O75762 2/20 0.44
RELA Q04206 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL6546138 1.00 CHAT (0.51) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL5528070 0.87 GABRA1 (0.40) CHATNFE2L2PTGER4PTGER3PTGER2
SCHEMBL5528076 0.86 CHAT (0.51) CHATNFE2L2TRPA1RELANPC1
SCHEMBL468924 0.85 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL16105737 0.85 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL6472671 0.85 CHAT (0.62) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL6546307 0.82 CHAT (0.51) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL30018391 0.81 GABRA1 (0.53) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL2108718 0.81 CHAT (0.50) CHATNFE2L2TRPA1RELAPTGER4
SCHEMBL11215662 0.79 GABRA1 (0.40) CHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924713-A Diphenyl polyether modified organic silicon and preparation method and application thereof 江西三越高分子材料有限公司 2024-04-26 CN claimed
US-20100105076-A1 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2010-04-29 US claimed
EP-2125195-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME Polyintell (FR) 2009-12-02 EP claimed
WO-2008132384-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2008-11-06 WO claimed
CN-101124516-A Pattern forming material, pattern forming apparatus, and pattern forming method FUJI FILM CORP (JP) 2008-02-13 CN claimed
JP-63236678-A None JP disclosed
CN-116615101-B Branched amino acid surfactants for agricultural products 艾德凡斯化学公司 2026-05-12 CN disclosed
US-20260062417-A1 CRYSTALLINE FORMS OF A BRUTONS TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2026-03-05 US disclosed
CN-117642168-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2024-03-01 CN disclosed
CN-114828900-A High efficiency myeloperoxidase activatable imaging agents 总医院公司 2022-07-29 CN disclosed
CN-106474051-B Reverse temperature-sensitive reversible hydrogel composition 博任达生化科技(上海)有限公司 2022-07-08 CN disclosed
CN-113403338-A Breast and ovarian cancer vaccines 华盛顿大学商业中心 2021-09-17 CN disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
US-5270406-A Advanced epoxy resin compositions containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1993-12-14 US disclosed
US-5218062-A Curable mixtures of mesogenic epoxy resins and mesogenic polyamines and cured compositions THE DOW CHEMICAL COMPANY (US) 1993-06-08 US disclosed
JP-S63236678-A RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1988-10-03 JP disclosed
US-4639370-A Pharmaceutical composition FARMITALIA CARLO ERBA S.P.A. (IT) 1987-01-27 US disclosed
US-4036990-A BETA-1,4-GLUCAN, PULVERIZED FMC CORPORATION (US) 1977-07-19 US disclosed
US-3966899-A BETA-1,4-GLUCAN, PULVERIZATION, SLOW RELEASE NAKAI YOSHINOBU 1976-06-29 US 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 (1 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-20260062417-A1 CRYSTALLINE FORMS OF A BRUTONS TYROSINE KINASE INHIBITOR BTK, SYK, LYN CHAT 4844/4885NFE2L2 4800/4885TRPA1 1151/4885

“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.