SCHEMBL5951992

SCHEMBL5951992

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3ccc4ccccc4c3)cccc21)[GeH](C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
DHFR P00374 1/20 0.32
MET P08581 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
AKT1 P31749 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
SCHEMBL5951612 0.85 PDCD1 (0.30)
SCHEMBL5951785 0.84 ADORA3 (0.30)
SCHEMBL1241164 0.83 GSTP1 (0.34) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL5951685 0.83 HDAC4 (0.35) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL138909 0.83 GSTP1 (0.34) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL5951278 0.81 CA12 (0.31) DHFR
SCHEMBL7188601 0.81 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
Hydrochloric Acid SCHEMBL4064327 0.81 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL5953138 0.80 FYN (0.34)
SCHEMBL1239988 0.80 GSTP1 (0.31) GSTP1

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 GSTP1 1262/4885SLC6A2 4252/4885SLC6A4 4673/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 GSTP1 1323/4885SLC6A2 4372/4885SLC6A4 4703/4885

“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.