SCHEMBL5952340

SCHEMBL5952340

CC1Cc2cccc(-c3ccc(O)cc3O)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
STAT3 P40763 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
AURKA O14965 1/20 0.40
DYRK1A Q13627 1/20 0.40
P4HB P07237 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL5951226 0.87 TDP2 (0.52) ACHESTAT3MAOAMAOB
SCHEMBL5952103 0.86 ACHE (0.59) ACHESTAT3MAOAMAOBALDH1A1
SCHEMBL5951497 0.84 ACHE (0.51) ACHESTAT3MAOAMAOB
SCHEMBL5952912 0.82 ACHE (0.50) ACHESTAT3MAOAMAOB
SCHEMBL5952536 0.79 ACHE (0.57) ACHEAURKADYRK1AP4HBCYP19A1
SCHEMBL5951788 0.78 ACHE (0.53) ACHESTAT3MAOAMAOBMAPT
SCHEMBL3378780 0.77 MAOA (0.62) ACHESTAT3MAOAMAOBALDH1A1
SCHEMBL5951713 0.77 ACHE (0.54) ACHESTAT3MAOAMAOB
SCHEMBL5951296 0.77 ACHE (0.59) ACHESTAT3MAOAMAOBALDH1A1
SCHEMBL5951689 0.76 ACHE (0.57) ACHEMAOAMAOB

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 839/4885STAT3 4523/4885MAOA 498/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885STAT3 4558/4885MAOA 564/4885

“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.