SCHEMBL5951887

SCHEMBL5951887

CCC1=Cc2c(-c3ccc(OC)c(OC)c3)cccc2C1[Zr](Cl)(Cl)(C1C(CC)=Cc2c(-c3ccc(OC)c(OC)c3)cccc21)[SiH](C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ADORA3 P0DMS8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5952140 0.89 BRD4 (0.37) ADORA3ADORA2AKDM4EALDH1A1HSD17B10
SCHEMBL5951798 0.87 L3MBTL1 (0.39) L3MBTL1ADORA3MEN1KMT2ACHRM1
SCHEMBL5952072 0.86 CYP1A1 (0.35) PDE4APDE4DADORA2AKDM4EALDH1A1
SCHEMBL5952634 0.85 ABL1 (0.34) KDM4EALDH1A1TSHRHPGD
SCHEMBL6374597 0.84 ABL1 (0.36) BRD4CREBBP
SCHEMBL5953209 0.84 HTR7 (0.32) ALDH1A1
SCHEMBL5952767 0.84 BRD4 (0.30) BRD4CREBBP
SCHEMBL5951949 0.83 CA2 (0.32)
SCHEMBL5951547 0.83 CYP1A1 (0.32) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL139603 0.82 GSTP1 (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 L3MBTL1 4883/4885ADORA3 3302/4885MEN1 718/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 L3MBTL1 4881/4885ADORA3 3288/4885MEN1 614/4885

“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.