SCHEMBL1949050

SCHEMBL1949050

C[Zr]1(C)C2C(=Cc3ccccc32)CCCC2=Cc3ccccc3C21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
KDM1A O60341 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL61248 0.93 KDM1A (0.36) DRD2DRD4KDM1ACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9099409 0.91 KDM1A (0.35) DRD2DRD4KDM1ACYP11B1CYP11B2
SCHEMBL9222380 0.85 DRD2 (0.33) DRD2DRD4CYP11B1CYP11B2
SCHEMBL8572177 0.78
SCHEMBL7204963 0.77 KDM1A (0.38) KDM1ACYP11B1CYP11B2
SCHEMBL1924092 0.76 CYP19A1 (0.34) DRD2DRD4CYP11B1CYP11B2
SCHEMBL2074643 0.74 KDM1A (0.40) KDM1A
SCHEMBL6355473 0.74 CYP11B1 (0.35) KDM1ACYP11B1CYP11B2
SCHEMBL10493942 0.71 KDM1A (0.31) KDM1A
SCHEMBL616008 0.71 KDM1A (0.34) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110137060-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS BASELL POLYOLEFIN GMBH (DE) 2011-06-09 US 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-20110137060-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS NCL, ARSA, NASP DRD2 4049/4885DRD4 2655/4885KDM1A 3009/4885

“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.