SCHEMBL15316113

SCHEMBL15316113

CC(C)(C)c1cccc(C(C)(C)C)c1-n1c(-c2cc(-c3nc4ccccc4n3-c3c(C(C)(C)C)cccc3C(C)(C)C)cc(-c3nc4ccccc4n3-c3c(C(C)(C)C)cccc3C(C)(C)C)c2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 1/20 0.39
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL15316114 0.83 PTGER4 (0.45) RAB9AESR1ESR2MAPK1HTT
SCHEMBL23463330 0.80 ESR1 (0.49) RAB9AESR1ESR2MAPK1HTT
SCHEMBL22925227 0.79 TSHR (0.38) RAB9AESR1ESR2MAPK1HTT
SCHEMBL31402648 0.79 TSHR (0.38) RAB9AESR1ESR2MAPK1HTT
SCHEMBL15316010 0.79 ESR1 (0.48) RAB9AESR1ESR2MAPK1HTT
SCHEMBL26719813 0.79 ESR1 (0.45) RAB9AESR1ESR2MAPK1HTT
SCHEMBL14947867 0.77 ESR2 (0.55) ESR1ESR2MAPK1HTTTP53
SCHEMBL15316056 0.77 ESR1 (0.41) RAB9AESR1ESR2MAPK1HTT
SCHEMBL26344611 0.76 ESR1 (0.48) RAB9AESR1ESR2MAPK1HTT
SCHEMBL15783217 0.75 MAPK1 (0.54) ESR1ESR2MAPK1HTTALDH1A1

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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L RAB9A 3863/4885ESR1 524/4885ESR2 873/4885

“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.