SCHEMBL5952427

SCHEMBL5952427

C=CCCCCc1cccc2c1C(=O)C(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
ABCB1 P08183 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
FAAH O00519 1/20 0.33
BID P55957 3/20 0.32
BCL2L1 Q07817 3/20 0.32
MCL1 Q07820 3/20 0.32
BAK1 Q16611 3/20 0.32
MMP2 P08253 2/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32

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
SCHEMBL5952805 0.82 ACHE (0.44) ACHEABCB1ALDH1A1MAOAMAOB
SCHEMBL5952113 0.82 ACHE (0.44) ACHEABCB1ALDH1A1EP300KAT2B
SCHEMBL5953238 0.79 ACHE (0.49) ACHEUSP2ALDH1A1HPGDTDP1
SCHEMBL19553483 0.79 ACHE (0.46) ACHEABCB1MAOAMAOBDRD2
SCHEMBL19553585 0.72 ACHE (0.42) ACHEABCB1MAOAMAOBDRD2
SCHEMBL19554030 0.72 ACHE (0.45) ACHEABCB1MAOAMAOBDRD2
SCHEMBL5952078 0.71 ACHE (0.47) ACHEABCB1MAOAMAOBDRD2
SCHEMBL5952808 0.71 ACHE (0.47) ACHEABCB1MAOAMAOBBCL2L1
SCHEMBL6510106 0.68 TDP1 (0.40) USP2ALDH1A1HPGDTDP1EP300
SCHEMBL7185650 0.67 ACHE (0.53) ACHEABCB1MAOAMAOBDRD2

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 839/4885ABCB1 1146/4885USP2 2937/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ABCB1 1132/4885USP2 3051/4885

“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.