SCHEMBL14200081

SCHEMBL14200081

COc1cc(OC)c(C(C)C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MGAM O43451 1/20 0.57
SI P14410 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57
POLB P06746 1/20 0.55
GFER P55789 1/20 0.55
P2RX3 P56373 3/20 0.50
P2RX2 Q9UBL9 3/20 0.50
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2953510 0.95 GAA (0.59) GAAMGAMSIMGAM2POLB
SCHEMBL12889915 0.92 GAA (0.57) GAAMGAMSIMGAM2POLB
SCHEMBL13816288 0.89 GAA (0.50) GAAMGAMSIMGAM2POLB
SCHEMBL24414090 0.89 GAA (0.48) GAAMGAMSIMGAM2POLB
SCHEMBL24413823 0.87 GAA (0.47) GAAMGAMSIMGAM2POLB
SCHEMBL28166632 0.84 GAA (0.49) GAAMGAMSIMGAM2POLB
SCHEMBL17861691 0.83 GAA (0.50) GAAMGAMSIMGAM2POLB
SCHEMBL14646980 0.83 POLB (0.60) GAAMGAMSIMGAM2POLB
Thymoquinol Dimethylether SCHEMBL12613923 0.83 POLB (0.66) GAAMGAMSIMGAM2POLB
SCHEMBL12412395 0.83 POLB (0.60) GAAMGAMSIMGAM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022098879-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2022-05-05 US disclosed
US-20210052503-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2021-02-25 US disclosed
WO-2020227437-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL BIOTHERAPEUTICS, INC. (US) 2020-11-12 WO disclosed
WO-2019028456-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID AXIAL BIOTHERAPEUTICS, INC. (US) 2019-02-07 WO disclosed
EP-2916840-B1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS NUCORION PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
US-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
WO-2014074725-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS OHIO STATE INNOVATION FOUNDATION (US) 2014-05-15 WO disclosed
US-8703804-B2 Ryanodine receptor inhibitors and methods relating thereto UTI LIMITED PARTNERSHIP (CA) 2014-04-22 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070254849-A1 Ryanodine receptor inhibitors and methods relating thereto UTI LIMITED PARNERSHIP 2007-11-01 US disclosed
US-20070254849-A1 Ryanodine receptor inhibitors and methods relating thereto UTI LIMITED PARNERSHIP 2007-11-01 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 (7 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 GAA 2915/4885MGAM 4877/4885SI 4662/4885
US-20210052503-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 GAA 641/4885MGAM 1194/4885SI 43/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 GAA 2915/4885MGAM 4877/4885SI 4662/4885
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 GAA 641/4885MGAM 1194/4885SI 43/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 GAA 1082/4885MGAM 4049/4885SI 3605/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GAA 1095/4885MGAM 143/4885SI 1429/4885
US-20070254849-A1 Ryanodine receptor inhibitors and methods relating thereto RYR2, RYR1, ATP2A1 GAA 2374/4885MGAM 4360/4885SI 2596/4885

“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.