SCHEMBL5953039

SCHEMBL5953039

COc1cc(-c2ccccc2)c2c(c1)C([Zr](Cl)(Cl)(C1C(C)=Cc3c(-c4ccccc4)cc(OC)cc31)[SiH](C)C)C(C)=C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
PIN1 Q13526 1/20 0.33
BACE1 P56817 2/20 0.32
PTPN1 P18031 1/20 0.32
ABL1 P00519 2/20 0.32
ABCB1 P08183 2/20 0.32
BCR P11274 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 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
SCHEMBL5952941 0.85 HPRT1 (0.31)
SCHEMBL5952572 0.85 METAP2 (0.31) METAP2
SCHEMBL5951997 0.83 ACLY (0.33) ABL1ABCB1BCRALDH1A1MAPT
SCHEMBL7178466 0.81
SCHEMBL8209967 0.81 METAP2 (0.34) METAP2
SCHEMBL5952933 0.81 ABL1 (0.38) ABL1ABCB1BCRTP53CYP3A4
SCHEMBL5951117 0.80
SCHEMBL5951136 0.80 CYP1A1 (0.36) ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL136348 0.80 PDCD1 (0.30)
SCHEMBL5951380 0.80 ABL1 (0.35) BACE1PTPN1ABL1ABCB1BCR

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 METAP2 3813/4885PIN1 1417/4885BACE1 1553/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 METAP2 4061/4885PIN1 1341/4885BACE1 1435/4885

“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.