SCHEMBL27871

SCHEMBL27871

CN(C)OB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.44
ENPP2 Q13822 3/20 0.44
ORAI1 Q96D31 3/20 0.44
ORAI2 Q96SN7 3/20 0.44
ORAI3 Q9BRQ5 3/20 0.44
CA4 P22748 2/20 0.44
PCSK9 Q8NBP7 2/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL21177785 0.90 MEN1 (0.37) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL28824873 0.77 PCSK9 (0.41) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL6470522 0.76 CA4 (0.42) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL14677580 0.76 TRPV6 (0.42) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL29216156 0.75 TRPV6 (0.38) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL691860 0.73 ENPP2 (0.50) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL1570273 0.73 TRPV6 (0.44) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL5501348 0.72 TRPM8 (0.37) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL1808334 0.72 ORAI1 (0.39) TRPV6ENPP2ORAI1ORAI2ORAI3
SCHEMBL1848691 0.72 TRPV6 (0.63) TRPV6ENPP2ORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004194-B Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 中国科学院化学研究所 2022-12-09 CN claimed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 CN claimed
US-20230390319-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-12-07 US disclosed
CN-114516832-B Tubulin inhibitor and preparation method and application thereof 成都贝诺科成生物科技有限公司 2023-11-28 CN disclosed
EP-4233864-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT Ajou University Industry-Academic Cooperation Foundation (KR) 2023-08-30 EP disclosed
CN-114656397-B Compound, two-dimensional organic crystal containing compound, preparation method and application 中国科学院化学研究所 2023-07-25 CN disclosed
US-20230181462-A1 Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-15 US disclosed
CN-113004194-B Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 中国科学院化学研究所 2022-12-09 CN disclosed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
CN-114656397-A Compound, two-dimensional organic crystal containing compound, preparation method and application 中国科学院化学研究所 2022-06-24 CN disclosed
CN-113582940-B Lipid drop specific fluorescent probe and synthetic method thereof 四川大学华西医院 2022-05-20 CN disclosed
WO-2006058016-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-06-01 WO disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
EP-1294823-A1 DOUBLE-SPIRO ORGANIC COMPOUNDS AND ELECTROLUMINESCENT DEVICES LG Chem, Ltd. (KR) 2003-03-26 EP disclosed
WO-2002088274-A1 DOUBLE-SPIRO ORGANIC COMPOUNDS AND ELECTROLUMINESCENT DEVICES LG CHEM, LTD. (KR) 2002-11-07 WO disclosed
US-5512246-A Method and means for detecting polyhydroxyl compounds Russell, Anthony P. (US) 1996-04-30 US disclosed
EP-0502955-A1 FLUORINATED SULFONES/KETONES FOR NONLINEAR OPTICS. DU PONT (US) 1992-09-16 EP disclosed
WO-1991008198-A1 FLUORINATED SULFONES/KETONES FOR NONLINEAR OPTICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-13 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-20230390319-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT STING1, IRF3, IFNG TRPV6 2903/4885ENPP2 1063/4885ORAI1 1719/4885
US-20230181462-A1 Dynamic Covalent Hydrogels, Precursors Thereof and Uses Thereof CDC37, ILK, PTMS TRPV6 4224/4885ENPP2 3237/4885ORAI1 4159/4885

“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.