SCHEMBL4308587

SCHEMBL4308587

C[C]1NC=CN1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
SIGMAR1 Q99720 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL24747035 0.74 LMNA (0.37) LMNAPOLBSIGMAR1KDM4ENPSR1
SCHEMBL14812572 0.71 ELANE (0.42) LMNAPOLBSIGMAR1KDM4ENPSR1
SCHEMBL4084451 0.69 LMNA (0.45) LMNAPOLBSIGMAR1KDM4ENPSR1
SCHEMBL1078286 0.68 SIGMAR1 (0.48) LMNASIGMAR1KDM4EALDH1A1MEN1
SCHEMBL28946773 0.64 POLB (0.50) LMNAPOLBSIGMAR1NPSR1ALDH1A1
SCHEMBL24701942 0.64 LMNA (0.39) LMNAPOLBSIGMAR1KDM4ENPSR1
SCHEMBL13801222 0.63 SIGMAR1 (0.60) LMNAPOLBSIGMAR1ALDH1A1MC4R
SCHEMBL4084447 0.63 LMNA (0.48) LMNAPOLBSIGMAR1NPSR1ALDH1A1
SCHEMBL5456203 0.61 EPHX2 (0.46) LMNAPOLBSIGMAR1ALDH1A1MEN1
SCHEMBL10105148 0.61 MC4R (0.40) LMNAPOLBSIGMAR1TSHRF2

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 9 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-7507688-B2 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2009-03-24 US disclosed
EP-1572360-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2008-06-25 EP disclosed
US-20070155918-A1 Monocyclopentadienyl complex BASELL POLYOLEFINE GMBH (DE) 2007-07-05 US disclosed
US-20060166815-A1 Monocyclopentadienyl complexes EQUISTAR CHEMICALS, LP 2006-07-27 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-1572360-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2005-09-14 EP disclosed
WO-2004056481-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-07-08 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 LMNA 3188/4885POLB 803/4885SIGMAR1 4103/4885
US-20060089253-A1 Monocyclopentadienyl complexes COASY, PCBP1, ORC3 LMNA 3042/4885POLB 928/4885SIGMAR1 3552/4885

“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.