SCHEMBL6402196

SCHEMBL6402196

CCCCOc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALPG P10696 1/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
NFKB2 Q00653 1/20 0.60
KMT2A Q03164 1/20 0.60
RELA Q04206 1/20 0.60
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PRSS1 P07477 4/20 0.52
RECQL P46063 2/20 0.52
CYP3A4 P08684 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL28108809 0.95 MAPT (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8424596 0.92 MAPT (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11407762 0.91 PRSS1 (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11407781 0.91 PRSS1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11408494 0.89 RECQL (0.58) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4313215 0.86 LMNA (0.58) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11874767 0.85 ALDH1A1 (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
Methane SCHEMBL27705473 0.84 LMNA (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11136715 0.83 PRSS1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8973683 0.83 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106673935-A Dimerization method of 1-butylene 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-106673942-A 1-butene dimerization method 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-106673934-A Dimerization method for 1-butene 中国石油化工股份有限公司 2017-05-17 CN disclosed
US-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 US disclosed
EP-1480966-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES Exonhit Therapeutics S.A. (FR) 2004-12-01 EP disclosed
WO-2003074508-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES EXONHIT THERAPEUTICS SA (FR) 2003-09-12 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 (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-20050054629-A1 Compounds and methods of treating cell proliferative diseases MKI67, CCNC, PCNA MAPT 2267/4885ALDH1A1 867/4885NPC1 151/4885

“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.