SCHEMBL5952263

SCHEMBL5952263

CCCCC(CCC)OB(O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LIPG Q9Y5X9 1/20 0.35
HTR1B P28222 2/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
NCEH1 Q6PIU2 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR1D P28221 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
SCHEMBL5951659 0.77 PCSK9 (0.46) KDM4ELIPGCNR2
SCHEMBL5951904 0.76 HTR1B (0.37) KDM4EKMT2AL3MBTL1HTR1BCYP2C9
SCHEMBL5952349 0.71 HPGD (0.44) KDM4EKMT2A
SCHEMBL3458150 0.69 ENPP2 (0.36) L3MBTL1LIPG
SCHEMBL7642783 0.69 KDM4E (0.40) KDM4EKMT2AL3MBTL1HTR1BCNR1
SCHEMBL22635045 0.69 CYP1A2 (0.43) KDM4EKMT2AL3MBTL1CYP2C9
Tetrabuthylammonium SCHEMBL28202528 0.68 LIPG (0.47) LIPGCNR1CNR2CYP2C9
SCHEMBL14415465 0.68 HTR1B (0.41) KDM4EKMT2AL3MBTL1LIPGHTR1B
SCHEMBL5952011 0.68 KDM4E (0.32) KDM4EKMT2AHTR1BHTR1D
SCHEMBL5951604 0.67 PRKCA (0.32) CNR1CNR2

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 KDM4E 2127/4885KMT2A 3372/4885L3MBTL1 4883/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 KDM4E 2338/4885KMT2A 3578/4885L3MBTL1 4881/4885

“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.