SCHEMBL13873019

SCHEMBL13873019

CC(C)Cc1ccc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MME P08473 4/20 0.36
ACE P12821 3/20 0.36
P2RX7 Q99572 1/20 0.35
PTGS2 P35354 1/20 0.35
CHKA P35790 1/20 0.35
AHR P35869 1/20 0.34
NR1H2 P55055 3/20 0.34
PGR P06401 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H3 Q13133 2/20 0.34
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
AR P10275 1/20 0.34
RXRA P19793 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
SCHEMBL10019196 0.85 P2RX7 (0.43) P2RX7SLC6A2SLC6A4
SCHEMBL12603776 0.80 SCN9A (0.42) P2RX7PTGS2CHKAAHRNR1H2
SCHEMBL2790208 0.78 AHR (0.39) PTGS2CHKAAHRNR1H2MEN1
SCHEMBL13873024 0.78 RORC (0.48) PTGS2
SCHEMBL2773091 0.77 RPS6KA3 (0.41) PTGS2AHRNR1H2NR1H3NR1I2
SCHEMBL23434784 0.76 HDAC2 (0.40) MEN1KMT2A
SCHEMBL13873211 0.76 NR3C1 (0.36) PTGS2CHKAAHRNR1H2PGR
SCHEMBL13756277 0.76 RAB9A (0.40) PTGS2CHKAKMT2A
SCHEMBL17834116 0.75 SLC6A2 (0.41) P2RX7NR1H2SLC6A2SLC6A4SLC6A3
SCHEMBL13647179 0.74 HTR2A (0.39) P2RX7SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 AKR1C2 1100/4885AKR1C1 1092/4885MME 209/4885

“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.