SCHEMBL5952011

SCHEMBL5952011

OCCC(OOB(O)c1cccc2ccccc12)OB(O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5953133 0.70 HTR1B (0.40) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL5951904 0.70 HTR1B (0.37) KDM4ECYP1A2KMT2AHTR1BALDH1A1
SCHEMBL29216444 0.70 ENPP2 (0.38) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL22635045 0.69 CYP1A2 (0.43) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL5952005 0.68 KDM4E (0.44) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL5952263 0.68 KDM4E (0.37) KDM4EKMT2AHTR1DHTR1B
SCHEMBL5952349 0.65 HPGD (0.44) KDM4ECYP1A2KMT2AALDH1A1GAA
SCHEMBL5601623 0.65 CYP1A2 (0.39) KDM4EMEN1CYP1A2KMT2AALDH1A1
SCHEMBL7790705 0.63 HTR1B (0.49) KDM4EMEN1CYP1A2KMT2AHTR1B
SCHEMBL5571942 0.62 CYP1A2 (0.48) KDM4ECYP1A2CYP2C19ALDH1A1GAA

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 KDM4E 2127/4885MEN1 718/4885CYP1A2 1/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 KDM4E 2338/4885MEN1 614/4885CYP1A2 1/4885

“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.