SCHEMBL488939

SCHEMBL488939

Cc1cccc(-c2c3ccccc3c(-c3cccc(C)c3)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ENPP1 P22413 1/20 0.45
NR1I3 Q14994 2/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
IDO1 P14902 1/20 0.41
METAP2 P50579 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
SCHEMBL7487894 0.96 ACHE (0.46) ACHECNR1CNR2RAB9ATSHR
SCHEMBL20809931 0.96 CNR1 (0.49) ACHECNR1CNR2RAB9ATSHR
SCHEMBL12415344 0.90 L3MBTL1 (0.45) ACHECNR1CNR2RAB9ATSHR
SCHEMBL9612423 0.90 MAPK1 (0.43) ACHECNR1CNR2RAB9ATSHR
SCHEMBL25656537 0.90 RAB9A (0.46) ACHECNR1CNR2RAB9ATSHR
SCHEMBL18904909 0.90 CNR1 (0.41) ACHECNR1CNR2RAB9ATSHR
SCHEMBL8853507 0.88 RAB9A (0.43) ACHECNR1CNR2RAB9ATSHR
SCHEMBL27930163 0.87 ALOX5 (0.52) ACHECNR1CNR2RAB9ATSHR
SCHEMBL25957704 0.87 ENPP1 (0.44) ACHECNR1CNR2RAB9ATSHR
SCHEMBL12245639 0.87 ACHE (0.50) ACHECNR1CNR2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105836-B2 Chemical inhibitors of mismatch repair MORPHOTEK, INC. (US) 2012-01-31 US claimed
EP-1351565-B1 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC (US) 2011-03-16 EP claimed
US-6982169-B2 Chemical inhibitors of mismatch repair MORPHOTEK, INC. (US) 2006-01-03 US claimed
EP-1351565-A4 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC (US) 2005-05-25 EP claimed
EP-1417329-A4 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS MORPHOTEK INC (US) 2005-05-11 EP claimed
EP-1417329-A1 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS Morphotek Inc. (US) 2004-05-12 EP claimed
EP-1351565-A1 CHEMICAL INHIBITORS OF MISMATCH REPAIR Morphotek Inc. (US) 2003-10-15 EP claimed
US-20030143586-A1 Genetic hypermutability of plants for gene discovery and diagnosis MORPHOTEK, INC. 2003-07-31 US claimed
US-20030091997-A1 Chemical inhibitors of mismatch repair EISAI, INC. 2003-05-15 US claimed
WO-2003031937-A2 GENETIC HYPERMUTABILITY OF PLANTS FOR GENE DISCOVERY AND DIAGNOSIS MORPHOTEK, INC. (US) 2003-04-17 WO claimed
US-20030068808-A1 Methods for generating antibiotic resistant microbes and novel antibiotics MORPHOTEK, INC. 2003-04-10 US claimed
WO-2003012130-A1 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS MORPHOTEK INC. (US) 2003-02-13 WO claimed
WO-2002054856-A1 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC. (US) 2002-07-18 WO claimed
US-10023632-B2 Antigenic GM-CSF peptides and antibodies to GM-CSF MORPHOTEK, INC. (US) 2018-07-17 US disclosed
EP-3181585-A2 ANTIGENIC GM-CSF PEPTIDES AND ANTIBODIES TO GM-CSF Morphotek, Inc. (US) 2017-06-21 EP disclosed
US-20160333089-A1 Antigenic GM-CSF Peptides and Antibodies to GM-CSF EISAI, INC. 2016-11-17 US disclosed
US-20030068808-A1 Methods for generating antibiotic resistant microbes and novel antibiotics MORPHOTEK, INC. 2003-04-10 US disclosed
WO-2003012130-A1 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS MORPHOTEK INC. (US) 2003-02-13 WO disclosed
US-20020192497-A1 Electroluminance device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2002-12-19 US disclosed
WO-2002054856-A1 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC. (US) 2002-07-18 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 (3 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-20160333089-A1 Antigenic GM-CSF Peptides and Antibodies to GM-CSF CSF3R, CSF1R, GMFG ACHE 3462/4885CNR1 4544/4885CNR2 4674/4885
US-10023632-B2 Antigenic GM-CSF peptides and antibodies to GM-CSF CSF3R, CSF1R, GMFG ACHE 3462/4885CNR1 4544/4885CNR2 4674/4885
US-20030091997-A1 Chemical inhibitors of mismatch repair MSH2, MSH6, PMS2 ACHE 3887/4885CNR1 4534/4885CNR2 4623/4885

“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.