SCHEMBL16843333

SCHEMBL16843333

CC(C)c1cc2c(cc1C(C)(C)C)OC(F)(F)O2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
GPR183 P32249 1/20 0.30

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
SCHEMBL24910485 0.84 TSHR (0.46)
SCHEMBL21074376 0.82 GPR3 (0.35) GPR3GPR183
SCHEMBL13341163 0.76 GPR55 (0.33) GPR3
SCHEMBL17031874 0.76 GPR183 (0.32) GPR3GPR183
SCHEMBL16072583 0.74 CYP1A2 (0.32) GPR3
SCHEMBL24986409 0.74 PTGS2 (0.38) GPR3
SCHEMBL13341077 0.74 GABRA1 (0.32) GPR3
SCHEMBL23480218 0.74 CYP3A4 (0.36)
SCHEMBL15369494 0.74 GPR3 (0.31) GPR3
SCHEMBL10273089 0.74 PTGS1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092902-A1 CCR6 COMPOUNDS CHEMOCENTRYX, INC. 2018-04-05 US disclosed
US-9795599-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2017-10-24 US disclosed
US-9795599-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2017-10-24 US disclosed
US-20160296508-A1 CCR6 COMPUNDS CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9340509-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2016-05-17 US disclosed
US-20150175547-A1 CCR6 COMPOUNDS CHEMOCENTRYX, INC. 2015-06-25 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 (3 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-20160296508-A1 CCR6 COMPUNDS CCR6, CCR1, CCR4 GPR3 2324/4885GPR183 1610/4885
US-20180092902-A1 CCR6 COMPOUNDS CCR6, CCR1, CCR4 GPR3 1117/4885GPR183 956/4885
US-20150175547-A1 CCR6 COMPOUNDS CCR6, CCR1, CCR4 GPR3 1117/4885GPR183 956/4885

“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.