SCHEMBL4312759

SCHEMBL4312759

CC(C)(Cc1ccccn1)C1C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
SYK P43405 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIN28A Q9H9Z2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL27617903 0.99 FDPS (0.36) FDPSHRH3LMNAALDH1A1NPC1
Pyridine SCHEMBL4314632 0.74 SIGMAR1 (0.34) HTR6
SCHEMBL8861716 0.73 HTR2A (0.44) LMNAHRH1HTR6TAAR1CYP1A2
Hydrochloric Acid SCHEMBL27617901 0.72 L3MBTL1 (0.33) FDPSALDH1A1NPC1RAB9ACYP1A2
SCHEMBL8831405 0.71 HTR2A (0.34) LMNAHRH1HTR6SMN1; SMN2MEN1
SCHEMBL8831509 0.71 RET (0.41) LMNAHRH1HTR6SMN1; SMN2MEN1
SCHEMBL6754873 0.71 HTR6 (0.51) HRH3LMNAALDH1A1HRH1HTR6
SCHEMBL1452608 0.70 HTR6 (0.41) LMNAHRH1HTR6SMN1; SMN2MEN1
SCHEMBL1030004 0.70 HTR2A (0.38) LMNAHRH1HTR6SMN1; SMN2MEN1
SCHEMBL30034828 0.70 SIGMAR1 (0.35) LMNAHRH1HTR6SMN1; SMN2MEN1

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
US-7541481-B2 Monocyclopentadienyl complex BASELL POLYOLEFIN GMBH (DE) 2009-06-02 US disclosed
US-20070155918-A1 Monocyclopentadienyl complex BASELL POLYOLEFINE GMBH (DE) 2007-07-05 US disclosed
US-20060089253-A1 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2006-04-27 US disclosed
EP-1534724-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-03-08 EP disclosed
EP-1534724-A2 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2005-06-01 EP disclosed
WO-2004020479-A2 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-03-11 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 (2 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-20070155918-A1 Monocyclopentadienyl complex COASY, PCBP1, ORC3 FDPS 117/4885HRH3 4197/4885LMNA 3188/4885
US-20060089253-A1 Monocyclopentadienyl complexes COASY, PCBP1, ORC3 FDPS 63/4885HRH3 3706/4885LMNA 3042/4885

“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.