SCHEMBL4032029

SCHEMBL4032029

COC(=O)C(CC(=O)O)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.61
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL16798244 0.88 LDHA (0.50) LDHAALDH1A1LMNAHTTMAPK1
SCHEMBL5345025 0.86 PDE4A (0.54) POLB
SCHEMBL5345029 0.86 PDE4A (0.54) POLB
SCHEMBL7365956 0.81 POLB (0.62) LDHAALDH1A1POLB
SCHEMBL9244545 0.81 LDHA (0.82) LDHAALDH1A1ALOX15ALOX12POLB
SCHEMBL25321413 0.79 LDHA (0.64) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL3965849 0.79 ESR1 (0.58) NPSR1POLB
SCHEMBL30474585 0.79 LDHA (0.64) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL9022613 0.79 TAAR1 (0.51) ALDH1A1POLB
SCHEMBL901408 0.79 CPA1 (0.66)

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
EP-1587795-B1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE BOEHRINGER INGELHEIM INT (DE) 2009-05-13 EP disclosed
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 LDHA 235/4885ALDH1A1 102/4885ALOX15 403/4885

“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.