SCHEMBL5951969

SCHEMBL5951969

CCC1Cc2c(Cc3ccccc3)ccc(Br)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.38
HSP90AB1 P08238 1/20 0.34
ELANE P08246 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
ACHE P22303 2/20 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

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
SCHEMBL5952593 0.90 CTRC (0.38) CTRCHSP90AB1ELANESIRT2ACHE
SCHEMBL8161901 0.69 MAOB (0.48) ELANECYP3A4MAOBACHECTSG
SCHEMBL5952655 0.68 METAP1 (0.37) HSP90AB1MAOBACHE
SCHEMBL8740800 0.67 KDM4E (0.55) CYP1A2ACHE
SCHEMBL31152648 0.61 CTRC (0.47) CTRCCYP3A4
SCHEMBL28412953 0.60 ELANE (0.53) CTRCELANECTSGNR1H2
SCHEMBL9227280 0.59 CTRC (0.37) CTRCELANECYP1A2CYP2C9CTSG
SCHEMBL5952808 0.59 ACHE (0.47) ELANECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5951906 0.59 METAP1 (0.44) ACHE
SCHEMBL31355505 0.58 ACHE (0.49) HSP90AB1ACHE

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.