SCHEMBL5952755

SCHEMBL5952755

CC(=O)Oc1cccc2c1CC(C)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.67
NSD2 O96028 1/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
KDM4E B2RXH2 7/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ADORA1 P30542 2/20 0.41
MAPK1 P28482 2/20 0.41
TTR P02766 2/20 0.41
HPGD P15428 2/20 0.41
HTR2A P28223 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL5952380 0.85 ACHE (0.68) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL7387396 0.85 ACHE (0.63) ACHENSD2HK1HKDC1KDM4E
SCHEMBL8099246 0.83 ACHE (0.45) ACHENSD2HK1HKDC1KDM4E
SCHEMBL5952549 0.82 ACHE (0.60) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL5951706 0.82 ACHE (0.60) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL5951821 0.81 ACHE (0.58) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL1756165 0.81 L3MBTL1 (0.43) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL5951717 0.80 ACHE (0.57) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL15746282 0.80 ACHE (1.00) ACHEKDM4ELMNAMAPTPOLB
SCHEMBL5951589 0.78 ABCB1 (0.50) ACHENSD2HK1HKDC1KDM4E

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 839/4885NSD2 3032/4885HK1 276/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885NSD2 3307/4885HK1 185/4885

“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.