SCHEMBL2948512

SCHEMBL2948512

COc1cc(C(C)(C)C)ccc1C=CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A1 P04798 3/20 0.49
CYP1B1 Q16678 3/20 0.49
RXRA P19793 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
APP P05067 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TNFRSF1A P19438 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL2948511 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL5573145 0.91 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL4641354 0.91 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL7109844 0.88 KDM4E (0.53) ALDH1A1MAPTRXRANR1H4KDM4E
SCHEMBL7109843 0.88 KDM4E (0.53) ALDH1A1MAPTRXRANR1H4KDM4E
SCHEMBL2949086 0.87 APP (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL2949089 0.87 APP (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL12098518 0.84 RXRA (0.46) ALDH1A1MAPTKMT2ACYP1A1CYP1B1
SCHEMBL2948925 0.84 HDAC8 (0.44) ALDH1A1MAPTMEN1KMT2ACYP1A1
SCHEMBL2948927 0.84 HDAC8 (0.44) ALDH1A1MAPTMEN1KMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 US disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 WO 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 ALDH1A1 1144/4885MAPT 4437/4885MEN1 1409/4885

“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.