SCHEMBL5951345

SCHEMBL5951345

CC1Cc2c(cccc2-c2ccc3ccccc3n2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 3/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
PTGS2 P35354 1/20 0.43
AR P10275 5/20 0.40
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5952035 0.81 ACHE (0.49) ACHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952102 0.76 KDM4E (0.51) ACHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5951567 0.75 ACHE (0.55) ACHENPC1RAB9AKMT2AMAPT
SCHEMBL3150632 0.75 ACHE (0.58) ACHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952460 0.75 BRD4 (0.55) ACHENISCH
SCHEMBL6917132 0.74 ACHE (0.54) ACHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3154249 0.74 ACHE (0.54) ACHEMAPT
SCHEMBL3066323 0.72 ACHE (0.64) ACHE
SCHEMBL5951179 0.72 ACHE (0.51) ACHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952132 0.71 ACHE (0.54) ACHEMEN1KMT2AMAPTALDH1A1

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 839/4885NPC1 2099/4885RAB9A 3183/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885NPC1 1941/4885RAB9A 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.