SCHEMBL5952349

SCHEMBL5952349

CCOB(O)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CDC25B P30305 3/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL5951898 0.81 HPGD (0.40) HPGDALDH1A1KDM4ELMNACDC25B
SCHEMBL7655382 0.81 ALDH1A1 (0.36) HPGDALDH1A1KDM4ELMNACDC25B
SCHEMBL5953133 0.81 HTR1B (0.40) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL7790705 0.79 HTR1B (0.49) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL22635045 0.79 CYP1A2 (0.43) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL5952005 0.78 KDM4E (0.44) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL18342022 0.78 ALDH1A1 (0.34) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL5951904 0.77 HTR1B (0.37) HPGDALDH1A1KDM4ELMNATSHR
SCHEMBL29216444 0.76 ENPP2 (0.38) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL29391558 0.76 ALDH1A1 (0.48) HPGDALDH1A1TSHRPGRGAA

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 HPGD 132/4885ALDH1A1 317/4885KDM4E 2127/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HPGD 159/4885ALDH1A1 198/4885KDM4E 2338/4885

“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.