SCHEMBL18508968

SCHEMBL18508968

COc1ccc(C=O)cc1/C=C/C(=O)/C=C/c1cc(C=O)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.67
JUN P05412 2/20 0.67
NFE2L2 Q16236 4/20 0.60
TFEB P19484 1/20 0.58
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
AOX1 Q06278 1/20 0.56
CA2 P00918 1/20 0.55
MAPT P10636 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALOX5 P09917 1/20 0.54
HSD11B1 P28845 1/20 0.54
STAT3 P40763 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
TRIM24 O15164 1/20 0.51

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
SCHEMBL8697176 0.88 EPHX2 (0.56) NFKB1JUNNFE2L2ALDH1A1TSHR
SCHEMBL18508908 0.81 MAPT (0.81) NFKB1JUNNFE2L2ALDH1A1MAPT
SCHEMBL1662997 0.81 ALDH1A1 (0.70) ALDH1A1TSHRAOX1MAPTTDP1
SCHEMBL5598598 0.80 JUN (1.00) NFKB1JUNNFE2L2TFEBALDH1A1
SCHEMBL5598600 0.80 JUN (1.00) NFKB1JUNNFE2L2TFEBALDH1A1
SCHEMBL20152991 0.80 BACE1 (0.77) NFKB1JUNNFE2L2TFEBALDH1A1
SCHEMBL18509207 0.77 NFKB1 (0.69) NFKB1JUNNFE2L2ALDH1A1TSHR
SCHEMBL15111041 0.76 KDM4E (0.71) NFE2L2ALDH1A1CA2MEN1KMT2A
SCHEMBL15111043 0.76 KDM4E (0.71) NFE2L2ALDH1A1CA2MEN1KMT2A
SCHEMBL2743877 0.76 NFKB1 (0.79) NFKB1JUNNFE2L2ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 US disclosed
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-08-03 US disclosed
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 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 (3 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-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885JUN 2579/4885NFE2L2 1139/4885
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885JUN 2579/4885NFE2L2 1139/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN NFKB1 841/4885JUN 2377/4885NFE2L2 832/4885

“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.