SCHEMBL6168920

SCHEMBL6168920

S=C1CCCC(c2ccccc2)N1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRCP P42785 1/20 0.35

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
SCHEMBL6170474 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EPKMHPGDALOX12
SCHEMBL22201133 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EPKMHPGDALOX12
SCHEMBL6170833 0.81 CYP19A1 (0.39) ALDH1A1KDM4EHPGDALOX12TDP1
SCHEMBL1274980 0.77 DDB1 (0.44) HPGDGRIN2BNOS1
SCHEMBL618869 0.74 MEN1 (0.44) KDM4EGRIN2BMEN1KMT2APRCP
SCHEMBL1464043 0.73 NOS1 (0.37) GRIN2BMEN1KMT2ANOS1NOS2
SCHEMBL16166424 0.73 CHRNB2 (0.44) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL7631291 0.72 NOS1 (0.39) ALDH1A1GRIN2BNOS1NOS2SLC18A3
SCHEMBL15874659 0.72 DDB1 (0.43) HPGDNOS1NOS2SLC18A3
SCHEMBL3237381 0.72 DDB1 (0.43) HPGDNOS1NOS2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129071-B1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER CROPSCIENCE AG (DE) 2005-10-26 EP disclosed
US-20030130125-A1 Phenyl-substituted cyclic enaminones FISCHER REINER (DE) 2003-07-10 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-1129071-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES Bayer Aktiengesellschaft (DE) 2001-09-05 EP disclosed
WO-2000027812-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-18 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 (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-20030130125-A1 Phenyl-substituted cyclic enaminones DDT, CYP19A1, KCNA1 ALDH1A1 410/4885KDM4E 527/4885PKM 12/4885

“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.