SCHEMBL502441

SCHEMBL502441

C=CCc1cc(C(=O)OC)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
NOTUM Q6P988 2/20 0.43
HPGD P15428 5/20 0.42
HTT P42858 2/20 0.42
CYP2C9 P11712 2/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL542210 0.88 CA1 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL2773239 0.86 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL5586280 0.84 KDM4E (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL23027982 0.83 NOTUM (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL3542900 0.83 PTPN1 (0.57) TDP1MAPTPTPN1MEN1KMT2A
SCHEMBL10309779 0.82 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL6478663 0.81 XDH (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL3533063 0.81 HPGD (0.48) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL9107524 0.81 KDM4E (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL13864921 0.81 KMT2A (0.48) ALDH1A1TDP1MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017119700-A1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2017-07-13 WO disclosed
EP-2074101-B1 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS (US) 2012-08-08 EP disclosed
US-8119422-B2 Stable acridinium esters with fast light emission SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2012-02-21 US disclosed
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-20100099077-A1 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-04-22 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
WO-2008067055-A2 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-06-05 WO disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
WO-2008055842-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D] PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008051757-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-05-02 WO disclosed
WO-2008051757-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-05-02 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 (4 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-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC ALDH1A1 4274/4885CA12 3361/4885CA1 3401/4885
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC ALDH1A1 4274/4885CA12 3361/4885CA1 3401/4885
US-20100099077-A1 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION ACR, NAALAD2, CES2 ALDH1A1 319/4885CA12 1268/4885CA1 2968/4885
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide MAP3K6, MAP3K1, MAP3K2 ALDH1A1 1604/4885CA12 4882/4885CA1 4871/4885

“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.