SCHEMBL4229019

SCHEMBL4229019

CCOc1ccc(C)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
NQO1 P15559 1/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX12 P18054 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
XBP1 P17861 1/20 0.47
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
SLC5A1 P13866 2/20 0.44
SLC5A2 P31639 2/20 0.44

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
SCHEMBL4233371 0.84 LTA4H (0.56) LTA4HMAPTALDH1A1MEN1KMT2A
SCHEMBL11983843 0.84 LTA4H (0.56) LTA4HMAPTALDH1A1MEN1KMT2A
SCHEMBL3720970 0.83 NQO1 (0.52) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL1051397 0.83 LTA4H (0.57) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL339500 0.83 LTA4H (0.57) LTA4HNQO1MAPTALDH1A1HSD17B10
SCHEMBL23712909 0.82 TSHR (0.42) MAPTALDH1A1HSD17B10KDM4ETP53
SCHEMBL16486711 0.82 AGXT (0.47) MAPTALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL28233564 0.81 NR5A1 (0.62) LTA4HMAPTALDH1A1MEN1KMT2A
SCHEMBL22542335 0.81 HPGD (0.63) MAPTALDH1A1HSD17B10KDM4ETP53
SCHEMBL143430 0.80 NQO1 (0.59) LTA4HNQO1MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468541-B1 ANTIPROTOZOAL AGENTS UNIV KIEL CHRISTIAN ALBRECHTS (DE) 2021-09-22 EP disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
WO-2017211988-A1 ACTIVE AGENTS AGAINST PROTOZOA CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2017-12-14 WO disclosed
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2013-10-31 US disclosed
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2013-10-31 US disclosed
EP-2412789-A1 LUBRICANT COMPOSITION AND USE THEREOF FUJIFILM Corporation (JP) 2012-02-01 EP disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives SHIONGI & CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives SHIONGI & CO., LTD. (JP) 2008-07-10 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
EP-1476158-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-11-14 EP disclosed
EP-1839655-A1 CTGF EXPRESSION INHIBITOR Shionogi Co., Ltd. (JP) 2007-10-03 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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 (5 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 LTA4H 3831/4885NQO1 692/4885MAPT 3938/4885
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P LTA4H 4526/4885NQO1 825/4885MAPT 4418/4885
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives CCNY, HDGF, GLI1 LTA4H 3589/4885NQO1 1502/4885MAPT 4741/4885
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR LTA4H 3809/4885NQO1 2276/4885MAPT 4754/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 LTA4H 3831/4885NQO1 692/4885MAPT 3938/4885

“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.