SCHEMBL5952763

SCHEMBL5952763

CCC1=Cc2c(-c3nc4ccccc4s3)cccc2C1[Zr](Cl)(Cl)(C1C(CC)=Cc2c(-c3nc4ccccc4s3)cccc21)[SiH](C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ILK Q13418 7/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 2/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
GLA P06280 3/20 0.36
S1PR2 O95136 2/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL5951274 0.87 KDM4E (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5953367 0.81 MEN1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5952219 0.78 ADRA1A (0.34)
SCHEMBL5953054 0.77 ADRA1A (0.32)
SCHEMBL5951256 0.77
SCHEMBL5952804 0.76 BRD4 (0.36) CYP1A2
SCHEMBL1583002 0.76 POLB (0.30) KMT2APOLB
SCHEMBL1582970 0.76
SCHEMBL5951141 0.76 CSNK2A2 (0.32)
SCHEMBL5951675 0.75

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 KDM4E 2127/4885ALDH1A1 317/4885NPC1 2099/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 KDM4E 2338/4885ALDH1A1 198/4885NPC1 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.