SCHEMBL5952744

SCHEMBL5952744

OBO.Oc1cc2ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.50
▸ ALOX5 P09917 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ESR2 Q92731 3/20 0.40
▸ SNCA P37840 2/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ KDR P35968 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ QDPR P09417 1/20 0.36
▸ ESR1 P03372 2/20 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
Iodide SCHEMBL28785231 0.88 — —
Ethane SCHEMBL28414719 0.85 — —
Formaldehyde SCHEMBL29018323 0.82 — —
SCHEMBL29171599 0.80 APP (0.48) APPALOX5MAPTESR2SNCA
SCHEMBL5951935 0.80 APP (0.48) APPALOX5HSD17B10CYP3A4ALOX15
Formic Acid SCHEMBL29046238 0.78 APP (0.46) APPALOX5HSD17B10CYP3A4ALOX15
Acetonitrile SCHEMBL28598009 0.76 APP (0.44) APPALOX5HSD17B10CYP3A4ALOX15
Phenol SCHEMBL10525660 0.76 ALOX5 (0.60) APPALOX5HSD17B10CYP3A4ALOX15
Acetic Acid SCHEMBL28572882 0.76 EGFR (0.49) APPALOX5HSD17B10MAPTBACE1
SCHEMBL7738889 0.74 ALOX5 (0.62) APPALOX5MAPTESR2SNCA

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 APP 1736/4885ALOX5 3389/4885HSD17B10 535/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 APP 1879/4885ALOX5 3600/4885HSD17B10 547/4885

“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.

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