SCHEMBL5952610

SCHEMBL5952610

Cc1cccc(-c2cccc3c2CC(C)C3=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.61
MAOB P27338 1/20 0.39
FYN P06241 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PGR P06401 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38

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
SCHEMBL5951456 0.89 ACHE (0.63) ACHEALDH1A1MAPTBRD4CREBBP
SCHEMBL5952394 0.84 ACHE (0.57) ACHENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5951545 0.84 ACHE (0.65) ACHEMAOBNPC1ALDH1A1MAPT
SCHEMBL3066323 0.83 ACHE (0.64) ACHEPARP10PARP11BRD4CREBBP
SCHEMBL5952238 0.83 ACHE (0.55) ACHEMAOBMAPTCA12CA9
SCHEMBL5951555 0.83 ACHE (0.55) ACHEMAOB
SCHEMBL5952357 0.81 ACHE (0.57) ACHEPARP10PARP11BRD4CREBBP
SCHEMBL5952058 0.81 ACHE (0.60) ACHEPARP10PARP11BRD4CREBBP
SCHEMBL5951284 0.81 ACHE (0.61) ACHEMAOBALDH1A1BRD4
SCHEMBL5952698 0.81 ACHE (0.53) ACHEBRD4CREBBP

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 839/4885MAOB 334/4885FYN 1580/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOB 403/4885FYN 1752/4885

“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.