SCHEMBL5004387

SCHEMBL5004387

Fc1ccccc1CC1=CC(Cc2ccccn2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNA7 P36544 1/20 0.35
HRH1 P35367 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
PPIA P62937 1/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL5004055 0.90 HTR6 (0.38) HTR6ALDH1A1RAB9ANPC1HTT
SCHEMBL5004306 0.82 ADRA2A (0.39) HTR6ALDH1A1MEN1KMT2ALMNA
SCHEMBL2353720 0.81 HTR6 (0.50) HTR6ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL5003769 0.77 PIP4K2C (0.36) HTR6ALDH1A1KMT2ALMNA
SCHEMBL2354448 0.76 HTR6 (0.57) HTR6ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL5003994 0.75 MAPT (0.41) HTR6ALDH1A1NPC1MEN1KMT2A
SCHEMBL28790807 0.75 HTR6 (0.52) HTR6ALDH1A1HTTL3MBTL1HRH1
SCHEMBL9953712 0.74 L3MBTL1 (0.50) ALDH1A1RAB9ANPC1HTTL3MBTL1
SCHEMBL13768755 0.73 HTR6 (0.35) HTR6LMNA
Hydrochloric Acid SCHEMBL5003776 0.70 CHRNA7 (0.34) ALDH1A1RAB9ANPC1HTTL3MBTL1

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
EP-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
US-20080269445-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2008-10-30 US disclosed
EP-1824888-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2007-08-29 EP disclosed
WO-2006063826-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-06-22 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-20080269445-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN HTR6 3492/4885ALDH1A1 2394/4885RAB9A 4737/4885

“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.