SCHEMBL487296

SCHEMBL487296

COc1ccc(C(C)C)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL26885690 0.88 KDM4E (0.39) AOC3CA1CA2CA7CA9
SCHEMBL13748913 0.83 CA1 (0.42) AOC3CA1CA2CA7CA9
SCHEMBL12263333 0.83 CA1 (0.42) AOC3CA1CA2CA7CA9
SCHEMBL16160301 0.83 CA1 (0.42) AOC3CA1CA2CA7CA9
SCHEMBL6380570 0.83 AOC3 (0.51) AOC3NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL532279 0.81 CA1 (0.41) AOC3CA1CA2CA7CA9
SCHEMBL18287882 0.80 AOC3 (0.57) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6026118 0.80 AOC3 (0.49) AOC3NPC1RAB9ASMN1; SMN2CYP1A1
SCHEMBL8910974 0.80 AOC3 (0.49) AOC3CA1CA2CA7CA9
SCHEMBL4958714 0.80 AOC3 (0.53) AOC3NPC1RAB9ASMN1; SMN2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092083-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-02 WO disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 US disclosed
WO-2006038735-A1 RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE NIPPON SHOKUBAI CO., LTD. (JP) 2006-04-13 WO disclosed
EP-1626065-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2006-02-15 EP disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 US disclosed
CN-1656177-A Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON CATALYTIC CHEM IND (JP) 2005-08-17 CN disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 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 (6 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-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4610/4885CA1 4709/4885CA2 4227/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 AOC3 2230/4885CA1 2384/4885CA2 1063/4885
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885CA1 4767/4885CA2 4223/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885CA1 4767/4885CA2 4223/4885
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 AOC3 1609/4885CA1 3982/4885CA2 4168/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 AOC3 4630/4885CA1 4767/4885CA2 4223/4885

“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.