SCHEMBL5953324

SCHEMBL5953324

CCc1ccc2ccc(C3Cc4ccccc4C3=O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
ACHE P22303 6/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METAP1 P53582 4/20 0.39
CYP19A1 P11511 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL5953308 0.90 ACHE (0.39) ACHEMETAP1CYP19A1SIGMAR1SLC6A4
SCHEMBL5951510 0.88 ACHE (0.38) ACHELMNAMAPTSMN1; SMN2METAP1
SCHEMBL5951692 0.86 ACHE (0.38) ACHEMETAP1CYP19A1
SCHEMBL14939508 0.84 ACHE (0.45) ACHENPC1ALDH1A1LMNAMAPT
SCHEMBL30424198 0.83 ACHE (0.46) ACHELMNASMN1; SMN2L3MBTL1METAP1
SCHEMBL14939102 0.81 ACHE (0.47) ACHENPC1ALDH1A1LMNAMAPT
SCHEMBL5952202 0.81 ACHE (0.42) ACHEALDH1A1MAPTSMN1; SMN2METAP1
SCHEMBL5952032 0.77 THRB (0.39) ACHEMETAP1CYP19A1SIGMAR1
SCHEMBL5951963 0.74 ACHE (0.41) CYP1A2CYP2A6ACHENPC1ALDH1A1
SCHEMBL30423664 0.74 ACHE (0.49) ACHEMETAP1CYP19A1MEN1KMT2A

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 CYP1A2 1/4885CYP2A6 64/4885ACHE 839/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP1A2 1/4885CYP2A6 78/4885ACHE 820/4885

“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.