SCHEMBL18508908

SCHEMBL18508908

COc1ccc(/C=C/C(=O)/C=C/c2ccc(C=O)cc2OC)c(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.81
ALDH1A1 P00352 3/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
CAPN1 P07384 1/20 0.66
CTSB P07858 1/20 0.66
JUN P05412 1/20 0.62
NFKB1 P19838 1/20 0.62
TXNRD1 Q16881 1/20 0.62
TXNRD3 Q86VQ6 1/20 0.62
TXNRD2 Q9NNW7 1/20 0.62
TNFRSF1A P19438 1/20 0.60
BACE1 P56817 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LY96 Q9Y6Y9 1/20 0.58
CYP1A1 P04798 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP1B1 Q16678 3/20 0.57

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
SCHEMBL5598355 0.90 MAPT (1.00) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL5598357 0.90 MAPT (1.00) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL28360809 0.85 CAPN1 (0.85) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL11999773 0.83 MAPT (0.85) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL10468807 0.83 MAPT (0.85) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL10468808 0.83 MAPT (0.85) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL30163524 0.81 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL29428462 0.81 MAPT (0.82) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL18508968 0.81 NFKB1 (0.67) MAPTALDH1A1MEN1KMT2ACAPN1
SCHEMBL16382581 0.80 MAPT (0.78) MAPTALDH1A1MEN1KMT2ACAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170042866-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 (2 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-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MAPT 198/4885ALDH1A1 320/4885MEN1 2595/4885
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MAPT 198/4885ALDH1A1 320/4885MEN1 2595/4885

“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.