SCHEMBL5951517

SCHEMBL5951517

C(=Cc1ccccc1)B(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
MAOB P27338 2/20 0.42
TRPA1 O75762 2/20 0.42
LMNA P02545 3/20 0.41
NFE2L2 Q16236 2/20 0.41
PPARG P37231 1/20 0.41
MGLL Q99685 1/20 0.39
RELA Q04206 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.36
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL5951514 1.00 CA1 (0.50) CA1MAOBTRPA1LMNANFE2L2
SCHEMBL8011423 0.72 CA1 (0.73) CA1MAOBTRPA1LMNANFE2L2
SCHEMBL29113629 0.71 CA1 (0.47) CA1MAOBTRPA1LMNANFE2L2
SCHEMBL1661656 0.70 LTA4H (0.39) CA1LMNAALDH1A1MAOARECQL
SCHEMBL2589329 0.69 IDO1 (0.46) TRPA1LMNANFE2L2PPARGRELA
(Z)-1,2-Diphenylethene SCHEMBL29119950 0.69 LTA4H (0.67) MAOBTRPA1NFE2L2PPARGRELA
SCHEMBL30999711 0.68 LCK (0.49) CA1MAOBNFE2L2RELAALDH1A1
SCHEMBL5059318 0.68
SCHEMBL5951532 0.67 CA1 (0.58) CA1MAOBTRPA1LMNANFE2L2
SCHEMBL5952429 0.67 CA1 (0.58) CA1MAOBTRPA1LMNANFE2L2

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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 CA1 3547/4885MAOB 334/4885TRPA1 3969/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA1 3105/4885MAOB 403/4885TRPA1 3711/4885

“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.