SCHEMBL4895870

SCHEMBL4895870

Cc1ccccc1-c1ccc2c(c1)-c1cc(-c3ccccc3C)ccc1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.53
CACNG8 Q8WXS5 1/20 0.53
ADORA1 P30542 1/20 0.48
PDK2 Q15119 1/20 0.45
MCL1 Q07820 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
TRPA1 O75762 1/20 0.44
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
HTR7 P34969 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTR1A P08908 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
AR P10275 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
SCHEMBL1480799 0.89 GRIA1 (0.54) GRIA1CACNG8ADORA1PDK2MCL1
SCHEMBL1480309 0.88 GRIA1 (0.57) GRIA1CACNG8ADORA1PDK2MCL1
SCHEMBL30885504 0.88 GRIA1 (0.57) GRIA1CACNG8ADORA1PDK2MCL1
SCHEMBL1481120 0.83 ALDH1A1 (0.46) GRIA1CACNG8ADORA1ALDH1A1LMNA
SCHEMBL2340285 0.80 GRIA1 (0.50) GRIA1CACNG8ADORA1CD274HTR7
SCHEMBL22904264 0.79 GRIA1 (0.68) GRIA1CACNG8
SCHEMBL23581451 0.79 ALDH1A1 (0.57) HTR7ALDH1A1LMNAKDM4ENPC1
SCHEMBL8115899 0.79 MCL1 (0.50) GRIA1CACNG8PDK2MCL1TRPA1
SCHEMBL1480687 0.77 MAPT (0.47) GRIA1CACNG8ADORA1ALDH1A1LMNA
SCHEMBL10478362 0.76 GRIA1 (0.53) GRIA1CACNG8ADORA1PDK2MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2008-07-03 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 (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-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer AOC2, ACSL1, ACSL3 GRIA1 1262/4885CACNG8 2988/4885ADORA1 4275/4885

“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.