SCHEMBL5952990

SCHEMBL5952990

CCCCC1Cc2c(cc(Br)c(Cc3ccccc3)c2-c2ccc(OC)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
CYP24A1 Q07973 3/20 0.37
CYP27A1 Q02318 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
PTPN1 P18031 1/20 0.34
NR3C1 P04150 1/20 0.34
LTA4H P09960 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EDNRA P25101 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
SCHEMBL5952994 0.77 CYP24A1 (0.38) CYP24A1CYP27A1LTA4HMEN1KMT2A
SCHEMBL5952216 0.75 ACHE (0.33) CYP24A1CYP27A1
SCHEMBL8028034 0.66 METAP1 (0.64) CYP19A1CYP24A1CYP27A1
SCHEMBL2424817 0.66 METAP1 (0.65) CYP19A1CYP24A1CYP27A1
SCHEMBL5953234 0.65 ACHE (0.39) CYP19A1MAPT
SCHEMBL31046475 0.65 ACHE (0.39) CYP19A1MAPT
SCHEMBL2420985 0.64 ACHE (0.42) CYP19A1HTTKDM4E
SCHEMBL2416248 0.64 HTR2A (0.32)
SCHEMBL29130764 0.63 METAP1 (0.64) CYP19A1CYP24A1CYP27A1
SCHEMBL10843932 0.61 LTA4H (0.58) CYP19A1LMNAHTTSMN1; SMN2TP53

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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 CYP19A1 18/4885CYP24A1 795/4885CYP27A1 375/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP19A1 17/4885CYP24A1 708/4885CYP27A1 395/4885

“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.