SCHEMBL5951824

SCHEMBL5951824

C[SiH](C)[Zr](Cl)(Cl)(C1C(C(F)(F)F)=Cc2c(-c3ccc4ccccc4c3)cccc21)C1C(C(F)(F)F)=Cc2c(-c3ccc4ccccc4c3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GSTP1 P09211 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL5952440 0.86 ENPP1 (0.34)
SCHEMBL138909 0.85 GSTP1 (0.34) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL5951070 0.84 ENPP1 (0.38)
SCHEMBL5951591 0.84 ENPP1 (0.32)
SCHEMBL5953074 0.83 ADORA2A (0.33) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL2512461 0.83 GSTP1 (0.33) HDAC4HDAC2HDAC8AKR1C3AKR1C2
SCHEMBL139603 0.83 GSTP1 (0.33) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL5951879 0.83 ENPP1 (0.41) HDAC4HDAC2HDAC8
SCHEMBL5952097 0.83 HTR1A (0.30)
SCHEMBL5952259 0.83 HTR1A (0.35)

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 4 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

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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A HSD11B1 650/4885HDAC4 4390/4885HDAC2 1582/4885

“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.