SCHEMBL5508907

SCHEMBL5508907

CC(C)(C(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.46
ALOX15 P16050 5/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
IDO1 P14902 1/20 0.43
AR P10275 4/20 0.41
HRH4 Q9H3N8 1/20 0.41
LGALS8 O00214 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5509491 0.86 FLT3 (0.38) FLT3ALOX15MEN1KMT2ARXFP1
SCHEMBL22013201 0.81 FLT3 (0.55) FLT3MEN1KMT2ARXFP1IDO1
SCHEMBL5509098 0.75 FLT3 (0.65) FLT3MEN1KMT2AKDM4EALDH1A1
SCHEMBL17777426 0.73 FLT3 (0.59) FLT3IDO1ARHRH4KDM4E
SCHEMBL1144377 0.71 KDM4E (0.74) FLT3IDO1ARKDM4EPDPK1
SCHEMBL29500509 0.71 KDM4E (0.74) FLT3IDO1ARKDM4EPDPK1
SCHEMBL3121040 0.70 FLT3 (0.56) FLT3ALOX15IDO1ARKDM4E
SCHEMBL17938655 0.70 GPR183 (0.71) MEN1KMT2AHRH4GPR183
SCHEMBL29540178 0.70 FLT3 (0.59) FLT3IDO1ARKDM4EPDPK1
SCHEMBL5504683 0.69 GPR183 (0.45) FLT3ALOX15MEN1KMT2ARXFP1

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
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 FLT3 3256/4885ALOX15 1423/4885MEN1 774/4885

“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.