SCHEMBL5951320

SCHEMBL5951320

COc1ccccc1-c1cccc2c1C=C(C)C2[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3ccccc3OC)cccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
KCNN4 O15554 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 1/20 0.32
LMNA P02545 1/20 0.32
CYP19A1 P11511 1/20 0.32
NR3C1 P04150 1/20 0.32
HTR7 P34969 5/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL5951662 0.87 CYP3A4 (0.43) ALDH1A1GAAMAPTMAPK1SMN1; SMN2
SCHEMBL5953209 0.85 HTR7 (0.32) ALDH1A1GAAHTR7
SCHEMBL140997 0.84
SCHEMBL5836622 0.83 CYP1A2 (0.33) ALDH1A1LMNA
SCHEMBL6381568 0.83 ADORA3 (0.37) ALDH1A1
SCHEMBL5951798 0.83 L3MBTL1 (0.39) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL138274 0.83 POLB (0.31)
SCHEMBL5351267 0.82
SCHEMBL141634 0.82
SCHEMBL136348 0.82 PDCD1 (0.30)

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 RAB9A 3183/4885KCNN4 2402/4885NPC1 2099/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 RAB9A 3329/4885KCNN4 2182/4885NPC1 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.