SCHEMBL5004055

SCHEMBL5004055

Fc1ccccc1CC1C=C(Cc2ccccn2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
HRH1 P35367 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PPIA P62937 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL5004387 0.90 HTR6 (0.38) HTR6CHRNA7ALDH1A1L3MBTL1RAB9A
SCHEMBL5003769 0.84 PIP4K2C (0.36) HTR6ALDH1A1KMT2ALMNA
SCHEMBL5003994 0.82 MAPT (0.41) HTR6ALDH1A1NPC1TAAR1MEN1
SCHEMBL2354448 0.81 HTR6 (0.57) HTR6ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL2353720 0.76 HTR6 (0.50) HTR6ALDH1A1L3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL5003776 0.75 CHRNA7 (0.34) CHRNA7ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL5004306 0.75 ADRA2A (0.39) HTR6ALDH1A1TAAR1MEN1KMT2A
SCHEMBL27943263 0.74 HTR6 (0.60) HTR6ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL9953712 0.74 L3MBTL1 (0.50) ALDH1A1L3MBTL1RAB9ANPC1HTT
SCHEMBL2463207 0.71 HRH3 (0.38) HTR6ALDH1A1L3MBTL1HRH1TAAR1

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 3492/4885CHRNA7 3756/4885ALDH1A1 2394/4885

“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.