SCHEMBL8694161

SCHEMBL8694161

CCOC(=O)/C=C/C(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.59
MAPT P10636 8/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 4/20 0.44
MDM2 Q00987 2/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TTR P02766 1/20 0.39

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
SCHEMBL22485788 1.00 HCAR2 (0.59) HCAR2MAPTMEN1NPC1MAPK1
SCHEMBL8694166 1.00 HCAR2 (0.59) HCAR2MAPTMEN1NPC1MAPK1
Diethyl Maleate SCHEMBL2015895 0.83 HCAR2 (0.80) HCAR2MAPTLMNAMDM2ATM
Diethyl Maleate SCHEMBL43033 0.83 HCAR2 (0.80) HCAR2MAPTLMNAMDM2ATM
Diethyl Maleate SCHEMBL27966383 0.83 HCAR2 (0.80) HCAR2MAPTLMNAMDM2ATM
Diethyl Maleate SCHEMBL2015896 0.83 HCAR2 (0.80) HCAR2MAPTLMNAMDM2ATM
Diethyl Maleate SCHEMBL42602 0.83 HCAR2 (0.80) HCAR2MAPTLMNAMDM2ATM
SCHEMBL18406963 0.83 HCAR2 (0.62) HCAR2MAPTMEN1NPC1MAPK1
Diethyl Maleate SCHEMBL60423 0.83 HCAR2 (0.80) HCAR2MAPTLMNAMDM2ATM
Diethyl Maleate SCHEMBL135447 0.81 HCAR2 (0.76) HCAR2MAPTLMNAMDM2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 US disclosed
US-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-07-12 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-06-07 US disclosed
US-9982011-B2 Legumain activated doxorubicin derivative as well as preparation method and application thereof YAFEI (SHANGHAI) BIOPHARMACEUTICAL CO., LTD. (CN) 2018-05-29 US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-5846941-A Isosteric antiherpes peptide derivatives II BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-12-08 US disclosed
EP-0560267-B1 Isosteric antiherpes peptide derivatives BOEHRINGER INGELHEIM CA LTD (CA) 1998-08-19 EP disclosed
EP-0767671-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1997-04-16 EP disclosed
US-5574015-A Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-11-12 US disclosed
CN-1126438-A Method of combating acyclovir-resistant herpes simplex viral infections BIO MEGA BOEHRINGER INGELHEIM (CA) 1996-07-10 CN disclosed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO disclosed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 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 (10 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-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS HCAR2 4031/4885MAPT 251/4885MEN1 163/4885
US-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HCAR2 3423/4885MAPT 4598/4885MEN1 170/4885
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS HCAR2 3779/4885MAPT 172/4885MEN1 102/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HCAR2 2150/4885MAPT 4151/4885MEN1 230/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HCAR2 4029/4885MAPT 279/4885MEN1 138/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS HCAR2 2257/4885MAPT 4060/4885MEN1 132/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HCAR2 4029/4885MAPT 279/4885MEN1 138/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS HCAR2 4452/4885MAPT 3275/4885MEN1 847/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 HCAR2 3764/4885MAPT 2699/4885MEN1 2/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS HCAR2 4740/4885MAPT 3744/4885MEN1 526/4885

“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.