SCHEMBL5952585

SCHEMBL5952585

CCC1=Cc2c(-c3cccnc3)cccc2C1[Zr](Cl)(Cl)(C1C(CC)=Cc2c(-c3cccnc3)cccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP2A6 P11509 4/20 0.34
CYP19A1 P11511 2/20 0.34
ADRA2A P08913 2/20 0.32
ADRA1A P35348 2/20 0.32
PTGS2 P35354 1/20 0.32
HPGDS O60760 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DHPS P49366 3/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5952242 0.87
SCHEMBL5951654 0.86 CYP2A6 (0.35) CYP11B1CYP11B2CYP2A6CYP19A1ADRA2A
SCHEMBL138390 0.86
SCHEMBL5952773 0.81
SCHEMBL1582869 0.81 PGR (0.32)
SCHEMBL1583197 0.81 ENPP3 (0.30)
SCHEMBL5951215 0.81 BCL2 (0.34)
Toluene SCHEMBL27836032 0.81
SCHEMBL1583444 0.81
SCHEMBL5948647 0.81 EDNRB (0.33)

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 CYP11B1 45/4885CYP11B2 19/4885CYP2A6 64/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP11B1 46/4885CYP11B2 30/4885CYP2A6 78/4885

“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.