SCHEMBL5951591

SCHEMBL5951591

C[SiH](C)[Zr](Cl)(Cl)(C1C(C(F)(F)F)=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc21)C1C(C(F)(F)F)=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.32
BACE1 P56817 1/20 0.32
DRD2 P14416 1/20 0.31
KIF11 P52732 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL5951070 0.90 ENPP1 (0.38) ENPP1
SCHEMBL5952440 0.90 ENPP1 (0.34) ENPP1
SCHEMBL136586 0.89 ENPP1 (0.31) ENPP1BACE1DRD2KIF11JAK2
SCHEMBL5952259 0.89 HTR1A (0.35)
SCHEMBL5952255 0.87 DRD2 (0.34) ENPP1BACE1DRD2
SCHEMBL5951879 0.87 ENPP1 (0.41) ENPP1BACE1DRD2
SCHEMBL5953289 0.86 KIF11 (0.37) BACE1KIF11
SCHEMBL2512916 0.86
SCHEMBL8461927 0.85 DRD2 (0.35) DRD2
SCHEMBL5952724 0.84 ENPP1 (0.32) ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ENPP1 4320/4885BACE1 1553/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ENPP1 4183/4885BACE1 1435/4885DRD2 1860/4885

“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.