SCHEMBL5952953

SCHEMBL5952953

COc1ccc2c(c1Br)C(=O)C(OC)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.48
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 4/20 0.35
DRD1 P21728 4/20 0.35
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL6463512 0.82 ACHE (0.34) ACHECYP1A2CYP2C19KDM4EDRD2
SCHEMBL31040033 0.73 ACHE (0.39) ACHECYP1A2KDM4ELMNAALDH1A1
SCHEMBL24575396 0.70 KDM4E (0.56) ACHECYP2C19KDM4ELMNAALDH1A1
SCHEMBL8899137 0.69 HTR2A (0.40) ACHEDRD2HPGD
SCHEMBL10200893 0.68 KDR (0.39) ACHEKDM4ELMNAALDH1A1GLA
SCHEMBL31040035 0.68 KDM4E (0.49) ACHEKDM4ELMNAALDH1A1GLA
SCHEMBL9741674 0.67 ACHE (0.67) ACHE
SCHEMBL5952917 0.67 ACHE (0.52) ACHE
SCHEMBL5952532 0.67 ACHE (0.52) ACHE
SCHEMBL1500071 0.65 METAP1 (0.52) ACHE

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 ACHE 839/4885CYP1A2 1/4885CYP2C19 60/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CYP1A2 1/4885CYP2C19 75/4885

“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.