SCHEMBL5953035

SCHEMBL5953035

CC(C)CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](Cl)(Cl)(C1C(CC(C)C)=Cc2c(-c3ccc4ccccc4c3)cccc21)[SiH](C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GSTP1 P09211 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL139603 0.88 GSTP1 (0.33) GSTP1SLC6A2SLC6A4SLC6A3
SCHEMBL5951390 0.87
SCHEMBL138267 0.86 GSTP1 (0.31) GSTP1SLC6A2SLC6A4SLC6A3
SCHEMBL2512461 0.86 GSTP1 (0.33) GSTP1S1PR4S1PR5SLC6A2SLC6A4
SCHEMBL3066957 0.85 GSTP1 (0.31) GSTP1SLC6A2SLC6A4SLC6A3
SCHEMBL1238250 0.85 HTR2A (0.31) HTR2AHTR2CHTR2BGSTP1S1PR4
SCHEMBL5952570 0.84
SCHEMBL138026 0.84 CNR2 (0.33) GSTP1
SCHEMBL5953290 0.84 ABL1 (0.32) SLC6A4
SCHEMBL5951466 0.84 NPC1 (0.32)

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 HTR2A 2569/4885HTR2C 2534/4885HTR2B 3049/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR2A 2727/4885HTR2C 2626/4885HTR2B 3128/4885

“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.