SCHEMBL5953074

SCHEMBL5953074

C[SiH](C)[Zr](Cl)(Cl)(C1C(c2ccccc2)=Cc2c(-c3ccc4ccccc4c3)cccc21)C1C(c2ccccc2)=Cc2c(-c3ccc4ccccc4c3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GSTP1 P09211 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHFR P00374 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
SCHEMBL2508944 0.88
SCHEMBL138909 0.86 GSTP1 (0.34) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL2514661 0.85 EDNRB (0.32)
SCHEMBL1024493 0.85
SCHEMBL2512461 0.84 GSTP1 (0.33) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL5952529 0.84 LMNA (0.37) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL2513713 0.84
SCHEMBL139603 0.84 GSTP1 (0.33) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL8675221 0.84 BIRC5 (0.37)
SCHEMBL5951251 0.84 KDM4E (0.34) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10

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 ADORA2A 2893/4885ADORA1 3339/4885GSTP1 1262/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ADORA2A 2884/4885ADORA1 2810/4885GSTP1 1323/4885

“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.