SCHEMBL5952830

SCHEMBL5952830

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)(C1C(C)=Cc2c(-c3ccccc3)cccc21)[GeH](C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
FABP3 P05413 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
BCL2L1 Q07817 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL5951612 0.84 PDCD1 (0.30) PDCD1CD274
SCHEMBL6375467 0.83 PDCD1 (0.34) PDCD1CD274FABP3ALDH1A1HPGD
SCHEMBL2561824 0.82 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL27423782 0.82 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7724565 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6436500 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6433747 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL271771 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
Fluoride SCHEMBL7638687 0.81 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7630525 0.80 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4

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 4 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-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 (1 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-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PDCD1 2265/4885CD274 2659/4885FABP3 3970/4885

“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.