SCHEMBL2157193

SCHEMBL2157193

CCC1(C(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL7510602 0.88 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1MAPTCHRM2CHRM4
SCHEMBL28625433 0.86 HPGD (0.33) SMN1; SMN2L3MBTL1HPGDALDH1A1KDM4E
SCHEMBL4459328 0.85 SRR (0.32) FFAR1
SCHEMBL27630130 0.85 PTPN1 (0.33) FFAR1
SCHEMBL27902585 0.85 MMP2 (0.35) ALDH1A1POLB
SCHEMBL21043747 0.84 PSEN1 (0.33) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL4184929 0.84 MMP2 (0.37) ALDH1A1
SCHEMBL5718581 0.84 MAPT (0.30) MAPT
SCHEMBL9746020 0.84 MMP2 (0.37) ALDH1A1
SCHEMBL4183422 0.84 MMP2 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1515541-A Method for detecting ligand pair combination by using non-fluorescent marker and its composite ռ�˹ 2004-07-28 CN claimed
WO-2000022909-A2 SYSTEMS FOR ORAL DELIVERY BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-04-27 WO claimed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN claimed
CN-117981493-A Light-emitting element, method for manufacturing light-emitting element, display device, and method for manufacturing display device 夏普显示科技株式会社 2024-05-03 CN disclosed
CN-101550077-B Manufacturing method of bicyclohexyl derivative FUJI PHOTO FILM CO LTD 2013-09-25 CN disclosed
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
EP-1404372-B1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN LTD (BM) 2010-03-03 EP disclosed
CN-101550077-A Manufacturing method of bicyclohexyl derivative FUJI PHOTO FILM CO LTD (JP) 2009-10-07 CN disclosed
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2009-02-12 US disclosed
EP-1951278-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE The Burnham Institute (US) 2008-08-06 EP disclosed
US-6545032-B1 Combinatorial libraries TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2003-04-08 US disclosed
EP-1218337-A4 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2002-09-11 EP disclosed
EP-1218337-A1 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-07-03 EP disclosed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 US disclosed
WO-2001019783-A1 SYNTHESIS OF [3,5,7]-1H-IMIDAZO[1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2001-03-22 WO disclosed
WO-2000022909-A2 SYSTEMS FOR ORAL DELIVERY BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-04-27 WO disclosed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN disclosed
US-5856107-A Combinatorial libraries of imidazol-pyrido-indole and imidazol-pyrido-benzothiophene derivatives, methods of making the libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 1999-01-05 US disclosed
WO-1998034112-A1 COMBINATORIAL LIBRARIES OF IMIDAZOL-PYRIDO-INDOLES AND IMIDAZOL-PYRIDO-BENZOTHIOPHENE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-08-06 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-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 SMN1; SMN2 2861/4885L3MBTL1 566/4885MAPT 3322/4885

“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.