SCHEMBL5952593

SCHEMBL5952593

CCC1Cc2c(Br)ccc(Cc3ccccc3)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.38
HSP90AB1 P08238 1/20 0.34
ELANE P08246 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
ACHE P22303 2/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD3 P35462 1/20 0.31
CTSG P08311 1/20 0.30
TP53 P04637 1/20 0.30
NR1H2 P55055 1/20 0.30
AADAT Q8N5Z0 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL5951969 0.90 CTRC (0.38) CTRCHSP90AB1ELANESIRT2ACHE
SCHEMBL8740800 0.72 KDM4E (0.55) ACHE
SCHEMBL5952655 0.65 METAP1 (0.37) HSP90AB1ACHE
SCHEMBL28412953 0.64 ELANE (0.53) CTRCELANECTSGNR1H2
SCHEMBL15700135 0.63 ALDH1A1 (0.42) ELANE
SCHEMBL8161901 0.63 MAOB (0.48) ELANEACHEDRD2DRD1DRD3
SCHEMBL9227280 0.62 CTRC (0.37) CTRCELANEDRD2DRD1DRD3
SCHEMBL5952808 0.62 ACHE (0.47) ELANEACHEDRD2DRD1DRD3
SCHEMBL31152648 0.61 CTRC (0.47) CTRC
SCHEMBL13935793 0.60 ELANE (0.67) CTRCELANECTSG

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 CTRC 2679/4885HSP90AB1 2881/4885ELANE 3425/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CTRC 2804/4885HSP90AB1 2643/4885ELANE 3444/4885

“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.