SCHEMBL5951179

SCHEMBL5951179

CC1Cc2c(cccc2-c2nc3ccccc3n2C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.51
KDM4E B2RXH2 9/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 9/20 0.43
MAPT P10636 5/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 4/20 0.42
PKM P14618 3/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL5951691 0.84 ACHE (0.47) ACHEKDM4ERAB9ANPC1ALDH1A1
SCHEMBL16692197 0.74 MEN1 (0.57) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL5951944 0.72 ACHE (0.55) ACHEKDM4EL3MBTL1HSD17B10
SCHEMBL5951345 0.72 ACHE (0.51) ACHEKDM4ERAB9ANPC1ALDH1A1
SCHEMBL230403 0.71 KDM4E (0.57) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL5952316 0.71 ACHE (0.77) ACHECA1CA2TSHR
SCHEMBL16692167 0.71 MEN1 (0.54) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL14483923 0.71 KCNMA1 (0.49) ACHEKDM4ERAB9ANPC1ALDH1A1
SCHEMBL12648806 0.71 MEN1 (0.57) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL5952102 0.70 KDM4E (0.51) ACHEKDM4ERAB9ANPC1ALDH1A1

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 839/4885KDM4E 2127/4885RAB9A 3183/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885KDM4E 2338/4885RAB9A 3329/4885

“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.