SCHEMBL5952238

SCHEMBL5952238

CC1Cc2c(cccc2-c2cccc(N)c2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.55
MAOA P21397 2/20 0.46
BRD4 O60885 2/20 0.41
MAP4K4 O95819 1/20 0.41
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PARP1 P09874 1/20 0.37
TDP2 O95551 1/20 0.37
CREBBP Q92793 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ALK Q9UM73 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
SCHEMBL5952789 0.84 ACHE (0.58) ACHEMAOABRD4MAOBCREBBP
SCHEMBL5952394 0.83 ACHE (0.57) ACHEBRD4MAPTCREBBP
SCHEMBL5952610 0.83 ACHE (0.61) ACHEBRD4MAPTMAOBCA12
SCHEMBL3066323 0.82 ACHE (0.64) ACHEBRD4CREBBP
SCHEMBL5951555 0.82 ACHE (0.55) ACHEMAOAMAOBTDP2
SCHEMBL5951456 0.81 ACHE (0.63) ACHEBRD4MAPTCREBBP
SCHEMBL5952357 0.80 ACHE (0.57) ACHEBRD4CREBBP
SCHEMBL5952058 0.80 ACHE (0.60) ACHEBRD4CREBBP
SCHEMBL5952829 0.79 ACHE (0.49) ACHEMAOABRD4MAP4K4MAPT
SCHEMBL5951284 0.79 ACHE (0.61) ACHEBRD4MAOB

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 839/4885MAOA 498/4885BRD4 3097/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885BRD4 3045/4885

“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.