SCHEMBL1839725

SCHEMBL1839725

COc1ccc2oc(C)c(C(=O)O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
GAA P10253 1/20 0.70
SLC26A4 O43511 7/20 0.62
TSHR P16473 3/20 0.62
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 2/20 0.61
BLM P54132 1/20 0.61
ATM Q13315 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PTGS2 P35354 1/20 0.60
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL4965650 0.88 KDM4E (0.64) POLBSMN1; SMN2GAASLC26A4TSHR
SCHEMBL24470997 0.86 SLC26A4 (0.80) POLBSLC26A4KMT2AMEN1HTT
SCHEMBL29713047 0.84 SLC26A4 (0.77) POLBSLC26A4KMT2AMEN1HTT
SCHEMBL24470995 0.84 SLC26A4 (0.77) POLBSLC26A4KMT2AMEN1HTT
SCHEMBL3976556 0.84 SLC26A4 (0.69) POLBSLC26A4TSHRKMT2AMEN1
SCHEMBL16654822 0.82 SMN1; SMN2 (0.68) POLBSMN1; SMN2GAATSHRKMT2A
SCHEMBL28654740 0.82 PTGS2 (0.85) POLBSMN1; SMN2GAATSHRLMNA
SCHEMBL28649551 0.81 GAA (0.69) POLBSMN1; SMN2GAATSHRKMT2A
SCHEMBL30664708 0.80 SLC26A4 (0.65) POLBSMN1; SMN2GAASLC26A4TSHR
SCHEMBL26676568 0.80 SLC26A4 (0.65) POLBSMN1; SMN2GAASLC26A4TSHR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698375-A Synthesis method of 4-cyclohexylimine methyl substituted benzofuran derivative 八叶草健康产业研究院(厦门)有限公司 2021-11-26 CN claimed
EP-3597186-B1 MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE US HEALTH (US) 2021-12-08 EP disclosed
CN-113698375-A Synthesis method of 4-cyclohexylimine methyl substituted benzofuran derivative 八叶草健康产业研究院(厦门)有限公司 2021-11-26 CN disclosed
CN-113698375-A Synthesis method of 4-cyclohexylimine methyl substituted benzofuran derivative 八叶草健康产业研究院(厦门)有限公司 2021-11-26 CN disclosed
US-11014902-B2 MYC G-quadruplex stabilizing small molecules and their use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-05-25 US disclosed
US-11014902-B2 MYC G-quadruplex stabilizing small molecules and their use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-05-25 US disclosed
US-20200308128-A1 MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2020-10-01 US disclosed
US-20200308128-A1 MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2020-10-01 US disclosed
US-10604499-B2 MYC G-quadruplex stabilizing small molecules and their use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2020-03-31 US disclosed
EP-3242661-B1 MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE US HEALTH (US) 2019-08-21 EP disclosed
US-8163916-B2 4-(6-Chloronicotinoyloxy)- or 4-(benzothien-5-ylcarbamoyloxy)-1-azatricyclo(3.3.1.1(3,7)decane;interacting selectively with nicotinic receptors alpha 7 and/or alpha 4 beta 2;cognition activators, Alzheimer's disease; dementia of AIDS, Lewey bodies, Down's; Pick's disease, smoking abuse; analgesics ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
EP-2129672-B1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-05-18 EP disclosed
EP-2129672-A1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-12-09 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
US-20080255178-A1 Azaadamantane Ester and Carbamate Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
WO-2008118742-A1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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 (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-20080255178-A1 Azaadamantane Ester and Carbamate Derivatives and Methods of Use Thereof CYP51A1, ALKBH5, AZI2 POLB 2007/4885SMN1; SMN2 3966/4885GAA 1148/4885
US-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 POLB 2936/4885SMN1; SMN2 3624/4885GAA 4732/4885
US-10604499-B2 MYC G-quadruplex stabilizing small molecules and their use MYC, MYCBP, MYCBP2 POLB 260/4885SMN1; SMN2 1636/4885GAA 2049/4885
US-20200308128-A1 MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE MYC, MYCBP, MYCBP2 POLB 260/4885SMN1; SMN2 1636/4885GAA 2049/4885
US-11014902-B2 MYC G-quadruplex stabilizing small molecules and their use MYC, MYCBP, MYCBP2 POLB 260/4885SMN1; SMN2 1636/4885GAA 2049/4885

“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.