SCHEMBL19982659

SCHEMBL19982659

COCc1ccc(COO)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCE Q02156 2/20 0.35
MYLK Q15746 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRKCG P05129 1/20 0.35
MAPT P10636 1/20 0.35
PRKCA P17252 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34

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
SCHEMBL10777398 0.90 ESR1 (0.38) RXRARXRBRXRGESR1ESR2
SCHEMBL9505730 0.88 LMNA (0.41) LMNATP53TDP1POLBL3MBTL1
SCHEMBL21208423 0.85 PRKCE (0.35) LMNATP53TDP1POLBL3MBTL1
SCHEMBL12993001 0.79 LOXL2 (0.38) LMNATP53KDM4E
SCHEMBL11785291 0.78 ESR1 (0.40) LMNATP53TDP1POLBL3MBTL1
SCHEMBL8750514 0.77 LMNA (0.39) LMNATP53TDP1POLBL3MBTL1
SCHEMBL1145658 0.74 KDM4E (0.51) LMNATP53TDP1L3MBTL1MEN1
SCHEMBL6934057 0.72 TP53 (0.43) TP53TDP1L3MBTL1MEN1ALDH1A1
SCHEMBL8750643 0.71 NPC1 (0.42) LMNATP53TDP1L3MBTL1MEN1
SCHEMBL4965724 0.71 LMNA (0.40) LMNATP53TDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 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 (1 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-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT LMNA 1247/4885TP53 138/4885TDP1 749/4885

“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.