SCHEMBL5951879

SCHEMBL5951879

COc1ccc(-c2cccc3c2C=C(C(F)(F)F)C3[Zr](Cl)(Cl)(C2C(C(F)(F)F)=Cc3c(-c4ccc(OC)cc4)cccc32)[SiH](C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.41
ENPP3 O14638 1/20 0.36
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
BACE1 P56817 1/20 0.32
NT5E P21589 1/20 0.31
PDK2 Q15119 1/20 0.31
TP53 P04637 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 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 0.87 ENPP1 (0.38) ENPP1
SCHEMBL5951591 0.87 ENPP1 (0.32) ENPP1DRD2BACE1
SCHEMBL5952440 0.87 ENPP1 (0.34) ENPP1
SCHEMBL5951380 0.85 ABL1 (0.35) ENPP1ABL1ABCB1BCRHDAC4
SCHEMBL5951824 0.83 HSD11B1 (0.34) HDAC4HDAC2HDAC8
SCHEMBL5952634 0.83 ABL1 (0.34) ENPP1ABL1ABCB1BCRHDAC4
SCHEMBL2514532 0.82 ABL1 (0.33) ENPP1ABL1ABCB1BCRHDAC4
SCHEMBL5952529 0.82 LMNA (0.37) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL5952259 0.81 HTR1A (0.35)
SCHEMBL5952724 0.81 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 4320/4885ENPP3 4164/4885ABL1 781/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ENPP1 4183/4885ENPP3 4260/4885ABL1 839/4885

“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.