SCHEMBL5951882

SCHEMBL5951882

COc1ccccc1P(C)c1cccc2c1CC(C)C2=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.69
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CREBBP Q92793 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TOP1 P11387 1/20 0.37

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
SCHEMBL15746282 0.83 ACHE (1.00) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5952643 0.82 ACHE (0.51) ACHEMEN1KMT2A
SCHEMBL5952092 0.80 ACHE (0.82) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5952366 0.77 ACHE (0.71) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5952454 0.73 ACHE (0.55) ACHECREBBP
SCHEMBL5953386 0.73 ACHE (0.68) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL8419557 0.72 CA1 (0.57) KDM4ELMNAMAPTL3MBTL1
SCHEMBL5951867 0.72 ACHE (0.51) ACHECYP19A1KDM4EMAPTMEN1
SCHEMBL5952018 0.71 ACHE (0.61) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5951716 0.70 ACHE (0.68) 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 839/4885CYP19A1 18/4885KDM4E 2127/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CYP19A1 17/4885KDM4E 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.