SCHEMBL1024205

SCHEMBL1024205

CC1=C(c2ccc(F)cc2)C(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.54
PTGS2 P35354 9/20 0.54
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL11304327 0.83 CYP2D6 (0.47) PTGS1PTGS2ALDH1A1HPGDHSD17B10
SCHEMBL1020926 0.79 PTGS2 (0.57) PTGS1PTGS2
SCHEMBL8266257 0.79 PTGS1 (0.67) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL17480605 0.77 ME2 (0.50) PTGS1PTGS2HTTALDH1A1HPGD
SCHEMBL1276757 0.76 PTGS1 (0.50) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL12048588 0.76 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL1022376 0.76 PTGS1 (0.50) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1339032 0.76 CYP2A6 (0.42) PTGS1PTGS2ALDH1A1
SCHEMBL1259640 0.74 PARP10 (0.44) PTGS1PTGS2ALDH1A1
SCHEMBL1019980 0.73 PTGS1 (0.48) PTGS1PTGS2HTTUSP2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed
US-9643919-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-09 US disclosed
US-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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 (1 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-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE CYP1B1, SQLE, C1S PTGS1 1629/4885PTGS2 2224/4885HTT 860/4885

“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.