SCHEMBL1134070

SCHEMBL1134070

O=C(CF)Nc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.60
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PEPD P12955 1/20 0.54
CA12 O43570 1/20 0.54
BRD4 O60885 1/20 0.54
NR1I2 O75469 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MB P02144 1/20 0.54
CA3 P07451 1/20 0.54
CYP3A4 P08684 1/20 0.54
RARG P13631 1/20 0.54
TSHR P16473 1/20 0.54
ALOX5AP P20292 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
NR1I3 Q14994 1/20 0.54

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
SCHEMBL28909121 0.83 CYP1A1 (0.67) CYP1A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9843748 0.83 GAA (0.66) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL27937384 0.82 CYP1A1 (0.84) CYP1A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27616186 0.81 MAPT (0.59) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL13059829 0.81 POLB (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3472843 0.81 KMT2A (0.73) ALDH1A1MAPTMEN1KMT2AMAOA
SCHEMBL4807819 0.81 TRPV1 (0.47) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL8876305 0.81 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL715695 0.81 POLB (0.73) ALDH1A1MEN1KMT2AGAARECQL
SCHEMBL2781923 0.80 EPHX2 (0.61) ALDH1A1MAPTMEN1KMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951001-B2 Hepatoprotectant acetaminophen mutual prodrugs ACORDA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20160326107-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS NEUROGESX, INC. 2016-11-10 US disclosed
US-20110263545-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS ACORDA THERAPEUTICS, INC. 2011-10-27 US disclosed
CN-102149412-A Hepatoprotectant acetaminophen mutual prodrugs NEUROGESX INC 2011-08-10 CN disclosed
EP-2285419-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS Neurogesx, Inc. (US) 2011-02-23 EP disclosed
WO-2009143299-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS NEUROGESX, INC. (US) 2009-11-26 WO disclosed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
CN-1432011-A Benzoamide piperidine compounds as substance P antagonists PFIZER PROD INC (US) 2003-07-23 CN disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP 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-20160326107-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS PTGS1, HPGD, PYGL CYP1A1 230/4885ALDH1A1 142/4885MAPT 2608/4885
US-20110263545-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS PTGS1, HPGD, PYGL CYP1A1 230/4885ALDH1A1 142/4885MAPT 2608/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 CYP1A1 1603/4885ALDH1A1 732/4885MAPT 2751/4885

“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.