SCHEMBL5951963

SCHEMBL5951963

CCc1cc(C2Cc3ccccc3C2=O)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
HTR6 P50406 1/20 0.40
METAP1 P53582 4/20 0.39
CYP19A1 P11511 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL5952892 0.90 ACHE (0.39) ACHEMETAP1CYP19A1SIGMAR1HTR1A
SCHEMBL5951600 0.86 ACHE (0.38) ACHEMETAP1CYP19A1SIGMAR1HTR1A
SCHEMBL5951749 0.80 ACHE (0.41) ACHEMETAP1CYP19A1SIGMAR1HTR1A
SCHEMBL14939102 0.78 ACHE (0.47) ACHEMETAP1CYP19A1SIGMAR1NPC1
SCHEMBL5952545 0.77 ACHE (0.38) ACHEMETAP1SIGMAR1HTR1ADRD2
SCHEMBL7525862 0.75 HTR6 (0.40) HTR6CYP1A2CYP2A6NPC1ALDH1A1
SCHEMBL5951221 0.75 ACHE (0.42) ACHEMETAP1CYP19A1CYP1A2
SCHEMBL5953324 0.74 CYP1A2 (0.44) ACHEMETAP1CYP19A1SIGMAR1CYP1A2
SCHEMBL14939508 0.73 ACHE (0.45) ACHEMETAP1CYP19A1SIGMAR1NPC1
SCHEMBL5951865 0.72 DRD2 (0.35) ACHEMETAP1SIGMAR1CYP1A2ALDH1A1

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 839/4885HTR6 2193/4885METAP1 4201/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR6 2362/4885METAP1 4035/4885

“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.