SCHEMBL5951386

SCHEMBL5951386

Cc1cccc2cc(C3Cc4ccccc4C3=O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 1/20 0.38
METAP1 P53582 3/20 0.37
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL30424198 0.82 ACHE (0.46) ACHESLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL30423664 0.80 ACHE (0.49) ACHECYP19A1METAP1
SCHEMBL14939220 0.77 CYP19A1 (0.59) ACHECYP19A1ALDH1A1METAP1LMNA
SCHEMBL5951221 0.76 ACHE (0.42) ACHECYP1A2CYP19A1METAP1
SCHEMBL5951389 0.76 ACHE (0.51) ACHESLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL2920960 0.75 CYP19A1 (0.56) ACHECYP19A1ALDH1A1METAP1HPGD
SCHEMBL14939185 0.74 ACHE (0.51) ACHECYP19A1METAP1
SCHEMBL5952202 0.74 ACHE (0.42) ACHESLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL5953324 0.73 CYP1A2 (0.44) ACHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL5951271 0.73 SIRT2 (0.39) ACHECYP19A1ALDH1A1METAP1LMNA

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 839/4885SLC6A2 4252/4885SLC6A4 4673/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885SLC6A2 4372/4885SLC6A4 4703/4885

“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.