SCHEMBL6402591

SCHEMBL6402591

CC(C)C1=CC(C2(C3C=C(C(C)C)c4ccccc43)CCCCC2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
CHRNA7 P36544 1/20 0.35
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
KCNH2 Q12809 2/20 0.31
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
APAF1 O14727 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6400773 0.98 PTPN1 (0.36) PTPN1CHRNA7CDC25ACDC25B
SCHEMBL6408424 0.88 CHRNA7 (0.32) CHRNA7
SCHEMBL6401073 0.87 MEN1 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL6401039 0.85 MEN1 (0.36)
SCHEMBL6406442 0.84 MME (0.30)
SCHEMBL6407257 0.83 BCHE (0.31) CHRNA7BCHEACHE
SCHEMBL6400675 0.83 MEN1 (0.30) CHRNA7
SCHEMBL6402569 0.82 BCHE (0.36) BCHEACHECYP3A4CYP2D6
SCHEMBL6401688 0.82 BCHE (0.36) BCHEACHECYP3A4CYP2D6
SCHEMBL6403915 0.81 MEN1 (0.31)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844288-B2 Process for the preparation of ligands for metallogene catalysts BASELL POLYOLEFINE GMBH (DE) 2005-01-18 US disclosed
US-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand EQUISTAR CHEMICALS, LP 2003-08-21 US disclosed
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts RESCONI LUIGI (IT) 2002-11-14 US disclosed
US-6423796-B1 COORDINATION CATALYST BASEL TECHNOLOGY COMPANY BV (NL) 2002-07-23 US disclosed
WO-2000001738-A9 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND MONTELL TECHNOLOGY COMPANY BV (NL) 2000-07-27 WO disclosed
EP-1017729-A2 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND Montell Technology Company bv (NL) 2000-07-12 EP disclosed
WO-2000001738-A2 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND MONTELL TECHNOLOGY COMPANY BV (NL) 2000-01-13 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-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand MACF1, SDC1, SDC2 PTPN1 2634/4885CHRNA7 801/4885SLC6A2 4775/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 PTPN1 2663/4885CHRNA7 1572/4885SLC6A2 4706/4885

“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.