SCHEMBL5952276

SCHEMBL5952276

CC1Cc2cccc(-c3cccc(C(F)(F)F)c3)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
HTR7 P34969 2/20 0.50
ACHE P22303 2/20 0.45
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
PRMT3 O60678 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CNR2 P34972 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL5951165 0.91 HTR1A (0.49) HTR1AHTR7ACHEPARP10PARP11
SCHEMBL5951594 0.86 ACHE (0.47) HTR1AHTR7ACHEMAOB
SCHEMBL5952403 0.82 ACHE (0.43) HTR1AHTR7ACHE
SCHEMBL5952547 0.81 HTR1A (0.52) HTR1AHTR7ACHEPARP10PARP11
SCHEMBL5951241 0.81 ACHE (0.47) HTR1AHTR7ACHEMAOB
SCHEMBL5951968 0.81 ACHE (0.54) HTR1AHTR7ACHEMAOB
SCHEMBL5952266 0.81 ACHE (0.50) ACHEPARP10PARP11MAPTMAOB
SCHEMBL5509273 0.80 ACHE (0.61) HTR1AHTR7ACHEMAOB
SCHEMBL5952829 0.80 ACHE (0.49) HTR1AHTR7ACHEMAPTMAOB
SCHEMBL5951226 0.80 TDP2 (0.52) ACHEMAOB

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 HTR1A 2570/4885HTR7 1861/4885ACHE 839/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885ACHE 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.