SCHEMBL5953418

SCHEMBL5953418

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

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5952501 0.82 DRD2 (0.32) LTA4HDRD2DRD1DRD4DRD5
SCHEMBL5951164 0.82 LTA4H (0.31) LTA4HDRD2DRD1DRD4DRD5
SCHEMBL5951469 0.82 LTA4H (0.31) LTA4HDRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL5951168 0.80 LTA4H (0.32) LTA4HHTR1AHTR7NPC1MAPK1
SCHEMBL5951612 0.79 PDCD1 (0.30)
SCHEMBL5951785 0.78 ADORA3 (0.30)
SCHEMBL5953149 0.78 LTA4H (0.30) LTA4HNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL5951465 0.76 HTR1A (0.31) HTR1AHTR7
SCHEMBL5951278 0.76 CA12 (0.31)
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 LTA4H 3537/4885DRD2 1803/4885DRD1 1896/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 LTA4H 3535/4885DRD2 1860/4885DRD1 1566/4885

“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.