SCHEMBL5953419

SCHEMBL5953419

Cc1ccc2ccccc2c1-c1cccc2c1CC(C)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
BRD4 O60885 1/20 0.39
DNMT1 P26358 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NSD2 O96028 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
FPR1 P21462 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5952132 0.85 ACHE (0.54) ACHEDNMT1ALDH1A1MAPTMEN1
SCHEMBL3150632 0.83 ACHE (0.58) ACHEBRD4SMN1; SMN2ALDH1A1MAPT
SCHEMBL5951952 0.83 ACHE (0.49) ACHEBRD4DNMT1SMN1; SMN2ALDH1A1
SCHEMBL6917132 0.82 ACHE (0.54) ACHEBRD4SMN1; SMN2ALDH1A1MAPT
SCHEMBL5952137 0.80 ACHE (0.64) ACHEBRD4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7752270 0.79 ACHE (0.53) ACHEDNMT1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5952316 0.76 ACHE (0.77) ACHEBRD4TSHRHTR7
SCHEMBL3150892 0.76 ACHE (0.54) ACHESMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL5952914 0.76 ACHE (0.66) ACHEBRD4ALDH1A1MAPTMEN1
SCHEMBL5953118 0.75 ACHE (0.49) ACHEBRD4DNMT1SMN1; SMN2HRH3

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 839/4885BRD4 3097/4885DNMT1 1207/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885BRD4 3045/4885DNMT1 1284/4885

“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.