SCHEMBL10001150

SCHEMBL10001150

COc1cc(/C=C/C(=O)C(C)(C)C)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.78
CYP2D6 P10635 3/20 0.72
NFKB1 P19838 3/20 0.72
CYP1A2 P05177 2/20 0.72
ALOX5 P09917 2/20 0.72
HSD11B1 P28845 2/20 0.72
STAT3 P40763 2/20 0.72
NFKB2 Q00653 2/20 0.72
RELA Q04206 2/20 0.72
NFE2L2 Q16236 2/20 0.72
APP P05067 3/20 0.70
KDM4E B2RXH2 2/20 0.70
CA12 O43570 2/20 0.70
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
CA3 P07451 2/20 0.70
PKM P14618 2/20 0.70
CA4 P22748 2/20 0.70
CA6 P23280 2/20 0.70
CA5A P35218 2/20 0.70

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
SCHEMBL3858935 0.92 KMT2A (0.66) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL3858939 0.92 KMT2A (0.66) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL8965766 0.91 CYP2D6 (0.72) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL8965757 0.91 CYP2D6 (0.72) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL3125899 0.88 KMT2A (1.00) KMT2ACYP2D6NFKB1CYP1A2NFE2L2
SCHEMBL3125894 0.88 KMT2A (1.00) KMT2ACYP2D6NFKB1CYP1A2NFE2L2
SCHEMBL27779110 0.87 CYP2D6 (0.67) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL20585531 0.87 CYP2D6 (0.70) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL22618575 0.86 APP (0.66) KMT2ACYP2D6NFKB1CYP1A2ALOX5
SCHEMBL8964899 0.85 APP (0.69) KMT2ACYP2D6NFKB1CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332427-B2 Menaquinol compositions and methods of treatment Epizon Pharma, Inc. (US) 2022-05-17 US disclosed
US-20210009494-A1 Menaquinol Compositions and Methods of Treatment Epizon Pharma, Inc. (US) 2021-01-14 US disclosed
US-10822295-B2 Menaquinol compositions and methods of treatment Epizon Pharma, Inc. (US) 2020-11-03 US disclosed
WO-2014087331-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGIC DISEASES KANDULA MAHESH (IN) 2014-06-12 WO disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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 (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-20210009494-A1 Menaquinol Compositions and Methods of Treatment SDHA, SDHB, NDUFB7 KMT2A 1019/4885CYP2D6 1200/4885NFKB1 3055/4885
US-11332427-B2 Menaquinol compositions and methods of treatment SDHA, SDHB, NDUFB7 KMT2A 1019/4885CYP2D6 1200/4885NFKB1 3055/4885
US-10822295-B2 Menaquinol compositions and methods of treatment PROC, VKORC1L1, VKORC1 KMT2A 2145/4885CYP2D6 2380/4885NFKB1 726/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 KMT2A 4174/4885CYP2D6 82/4885NFKB1 1302/4885

“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.