SCHEMBL5951691

SCHEMBL5951691

CC1Cc2cccc(-c3nc4ccccc4n3C)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
KDM4E B2RXH2 11/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
ALDH1A1 P00352 8/20 0.42
MAPT P10636 4/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 6/20 0.41
HPGD P15428 4/20 0.41
ALOX15 P16050 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
SCHEMBL5951179 0.84 ACHE (0.51) ACHEKDM4ENPC1RAB9AALDH1A1
SCHEMBL5952035 0.74 ACHE (0.49) ACHEKDM4ENPC1RAB9AALDH1A1
SCHEMBL5951296 0.74 ACHE (0.59) ACHEALDH1A1TSHRMEN1KMT2A
SCHEMBL16692197 0.73 MEN1 (0.57) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5952181 0.73 ACHE (0.46) ACHEKDM4EL3MBTL1HSD17B10CASP1
SCHEMBL5951964 0.72 KDM4E (0.49) ACHEKDM4ENPC1RAB9AALDH1A1
SCHEMBL5509273 0.72 ACHE (0.61) ACHETSHR
SCHEMBL5952923 0.72 BRD4 (0.53) ACHECA1CA2PDGFRB
SCHEMBL5951252 0.72 ACHE (0.56) ACHEKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5952103 0.71 ACHE (0.59) ACHEALDH1A1MAPTTHRBL3MBTL1

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 2127/4885NPC1 2099/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885KDM4E 2338/4885NPC1 1941/4885

“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.