SCHEMBL5952501

SCHEMBL5952501

CC1=Cc2c(-c3cccs3)cccc2C1[Zr](Cl)(Cl)(=C(C)C)C1C(C)=Cc2c(-c3cccs3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LTA4H P09960 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
ADORA2A P29274 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MET P08581 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KEAP1 Q14145 1/20 0.30
NPC1 O15118 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
SCHEMBL5951164 0.82 LTA4H (0.31) DRD2DRD1DRD4DRD5RAB9A
SCHEMBL5951469 0.82 LTA4H (0.31) DRD2DRD1DRD4DRD5RAB9A
SCHEMBL5953418 0.82 LTA4H (0.31) DRD2DRD1DRD4DRD5RAB9A
Hydrochloric Acid SCHEMBL5951168 0.80 LTA4H (0.32) ALDH1A1RAB9ASMN1; SMN2KDM4ELTA4H
SCHEMBL141649 0.79 PDCD1 (0.33)
SCHEMBL5953310 0.78 EDNRB (0.32)
SCHEMBL5953149 0.78 LTA4H (0.30) RAB9ASMN1; SMN2LTA4HNPC1MAPK1
SCHEMBL439499 0.77
SCHEMBL5836702 0.76 MTNR1A (0.33) ALDH1A1KDM4E
SCHEMBL6056144 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 DRD2 1803/4885DRD1 1896/4885DRD4 2154/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885DRD1 1566/4885DRD4 2123/4885

“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.