SCHEMBL257114

SCHEMBL257114

C/C=C/c1cccc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.69
NFE2L2 Q16236 4/20 0.65
CYP19A1 P11511 1/20 0.62
NQO2 P16083 1/20 0.62
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61
TUBA3E Q6PEY2 1/20 0.61
TUBA1A Q71U36 1/20 0.61
TUBA1C Q9BQE3 1/20 0.61
TUBB6 Q9BUF5 1/20 0.61
TUBB2B Q9BVA1 1/20 0.61
TUBB1 Q9H4B7 1/20 0.61
CHRM5 P08912 1/20 0.60

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
SCHEMBL471006 1.00 RELA (0.69) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL7194475 1.00 RELA (0.69) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL31317665 0.89 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700056 0.89 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700055 0.89 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL23158820 0.89 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL15932972 0.86 RELA (0.62) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL14401251 0.83 RELA (0.81) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700797 0.83 RELA (0.81) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700798 0.83 RELA (0.81) RELANFE2L2CYP19A1NQO2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
EP-2822938-B1 RODENTICIDAL NORBORMIDE ANALOGUES LANDCARE RES NEW ZEALAND LIMITED (NZ) 2019-07-03 EP disclosed
US-20180011405-A1 RESIST UNDERLAYER FILM COMPOSITION, PATTERNING PROCESS, METHOD FOR FORMING RESIST UNDERLAYER FILM, AND COMPOUND FOR RESIST UNDERLAYER FILM COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-11 US disclosed
US-9670234-B2 Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs SCINOPHARM TAIWAN, LTD. (TW) 2017-06-06 US disclosed
US-9670234-B2 Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs SCINOPHARM TAIWAN, LTD. (TW) 2017-06-06 US disclosed
EP-3149135-A2 PERFUME COMPOSITIONS Givaudan S.A. (CH) 2017-04-05 EP disclosed
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 US disclosed
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-07-19 US disclosed
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-07-19 US disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-03-22 US disclosed
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-03-22 US disclosed
US-4861742-A Bifunctional alkali metal compounds, preparation and use thereof as polymerization initiators BASF AKTIENGESELLSCHAFT (DE) 1989-08-29 US disclosed
EP-0143952-A1 Substituted cinnamyl-2,3-dihydrobenzopyrans and cinnamylphenols useful as anti-inflammatory agents MERCK & CO. INC. (US) 1985-06-12 EP 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 (4 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD RELA 1097/4885NFE2L2 1887/4885CYP19A1 3741/4885
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD RELA 496/4885NFE2L2 439/4885CYP19A1 607/4885
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD RELA 496/4885NFE2L2 439/4885CYP19A1 607/4885
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS PTGIS, PTGER1, PTGS1 RELA 2631/4885NFE2L2 94/4885CYP19A1 85/4885

“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.