SCHEMBL1610243

SCHEMBL1610243

CCCCC[CH]c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NFE2L2 Q16236 1/20 0.35
MCHR1 Q99705 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.34
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
MDM2 Q00987 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1611160 0.98 HTT (0.44) CYP2A6HTTRAB9ANPC1SMN1; SMN2
SCHEMBL1610892 0.98 HTT (0.44) CYP2A6HTTRAB9ANPC1SMN1; SMN2
SCHEMBL1612718 0.93 CYP2A6 (0.46) CYP2A6HTTRAB9ANPC1SMN1; SMN2
SCHEMBL1611178 0.84 CYP2A6 (0.50) CYP2A6RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6320373 0.84 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2TSHRKCNH2
SCHEMBL1609682 0.81 ALDH1A1 (0.44) CYP2A6SMN1; SMN2ACHEHPGDKDM4E
SCHEMBL5878874 0.81 TRPA1 (0.42) L3MBTL1NFE2L2HPGDMAPTNPSR1
SCHEMBL38728 0.80 LMNA (0.46) CYP2A6SMN1; SMN2TDP1MAPT
SCHEMBL2323474 0.79 ALDH1A1 (0.52) ACHEKDM4EMAPT
SCHEMBL1610146 0.79 TNNC1 (0.43) ACHEKDM4ETNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9074266-B2 2,9-dipyridyl-1,10-phenanthroline derivatives useful as actinide ligands, method for synthesizing same, and uses thereof Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2015-07-07 US disclosed
US-20140030172-A1 2,9-DIPYRIDYL-1,10-PHENANTHROLINE DERIVATIVES USEFUL AS ACTINIDE LIGANDS, METHOD FOR SYNTHESIZING SAME, AND USES THEREOF UNIVERSITE DE NANTES (FR) 2014-01-30 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 (2 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-20140030172-A1 2,9-DIPYRIDYL-1,10-PHENANTHROLINE DERIVATIVES USEFUL AS ACTINIDE LIGANDS, METHOD FOR SYNTHESIZING SAME, AND USES THEREOF NRP1, AHR, NR0B1 CYP2A6 1140/4885HTT 2749/4885RAB9A 477/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP2A6 1465/4885HTT 774/4885RAB9A 3050/4885

“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.