SCHEMBL5952691

SCHEMBL5952691

CC1=Cc2c(-c3ccccn3)ccc(C)c2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3ccccn3)ccc(C)c21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
CCR1 P32246 2/20 0.30
CCR5 P51681 2/20 0.30
CCR8 P51685 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
METAP1 P53582 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 1/20 0.30
DOHH Q9BU89 1/20 0.30
P4HTM Q9NXG6 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
SCHEMBL7565550 0.89 MAOA (0.31) MAOA
SCHEMBL7565115 0.87 MAOA (0.33) MAOANPC1
SCHEMBL7564070 0.87 GABRG2 (0.32) MAOA
SCHEMBL7566146 0.87 MAOA (0.31) MAOA
SCHEMBL7571196 0.86 MAOA (0.31) MAOA
SCHEMBL7565961 0.84 CYP1A2 (0.32) CYP1A2
SCHEMBL8676204 0.83 GABRG2 (0.33) MAOAKDM4ENPC1CCR1CCR5
SCHEMBL5952989 0.82 ADRA1A (0.33) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL5953402 0.81 ESR2 (0.30)
Hydrochloric Acid SCHEMBL7566074 0.81 MAOA (0.34) MAOAKDM4ENPC1CCR1CCR5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US claimed
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
EP-0743317-B1 Metallocenes comprising a heterocycle and catalysts containing them BASELL POLYOLEFINE GMBH (DE) 2002-08-28 EP disclosed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 US disclosed
EP-0743317-A2 Metallocenes comprising a heterocycle and catalysts containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-20 EP 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 MAOA 498/4885KDM4E 2127/4885NPC1 2099/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 MAOA 564/4885KDM4E 2338/4885NPC1 1941/4885

“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.