SCHEMBL5000284

SCHEMBL5000284

CC(C)(Cc1ccccn1)C1C=C(Cc2ccccc2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 3/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
FDPS P14324 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SYK P43405 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
CXCR3 P49682 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2353720 0.77 HTR6 (0.50) L3MBTL1HTR6CYP1A2CYP3A4HRH3
Hydrochloric Acid SCHEMBL5003707 0.75 KCNH2 (0.36) L3MBTL1HTR6CYP1A2CYP3A4KCNH2
SCHEMBL2354448 0.71 HTR6 (0.57) L3MBTL1HTR6CYP1A2CYP3A4HRH3
SCHEMBL2463207 0.70 HRH3 (0.38) L3MBTL1HTR6HRH3SYKLMNA
SCHEMBL27943263 0.69 HTR6 (0.60) L3MBTL1HTR6CYP1A2CYP3A4HRH3
SCHEMBL5004311 0.69 HTR6 (0.42) L3MBTL1HTR6CYP1A2CYP3A4KCNH2
SCHEMBL4312759 0.69 FDPS (0.37) L3MBTL1HTR6CYP1A2FDPSHRH3
Hydrochloric Acid SCHEMBL27617903 0.68 FDPS (0.36) L3MBTL1HTR6CYP1A2FDPSHRH3
Hydrochloric Acid SCHEMBL5003705 0.67 L3MBTL1 (0.35) L3MBTL1CYP1A2CYP3A4KCNH2SCN5A
SCHEMBL15061864 0.66 HRH3 (0.37) L3MBTL1HTR6HRH3SYKLMNA

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 L3MBTL1 2899/4885HTR6 3492/4885CYP1A2 857/4885

“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.