SCHEMBL21074376

SCHEMBL21074376

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
GPR183 P32249 2/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
NOTUM Q6P988 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
KIF11 P52732 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL17031874 0.87 GPR183 (0.32) GPR3TSHRGPR183
SCHEMBL16072583 0.86 CYP1A2 (0.32) GPR3CYP1A2KIF11
SCHEMBL15369494 0.86 GPR3 (0.31) GPR3
SCHEMBL16843333 0.82 GPR3 (0.33) GPR3GPR183
SCHEMBL25028967 0.74 ULK1 (0.33) GPR3TSHRNOTUM
SCHEMBL18307738 0.73 TSHR (0.33) TSHR
SCHEMBL8239476 0.72 TSHR (0.39) GPR3CTNNB1WNT3ATSHRNOTUM
SCHEMBL13058897 0.71 CA2 (0.31) TSHRALDH1A1CA2
SCHEMBL24401069 0.71 GPR55 (0.32) GPR3
SCHEMBL19485824 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10786494-B2 CCR6 compounds CHEMOCENTRYX, INC. (US) 2020-09-29 US disclosed
US-20190167659-A1 CCR6 COMPOUNDS CHEMOCENTRYX, INC. 2019-06-06 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-20190167659-A1 CCR6 COMPOUNDS CCR6, CCR1, CCR4 GPR3 1117/4885CTNNB1 3229/4885WNT3A 4225/4885
US-10786494-B2 CCR6 compounds CCR6, CCR1, CCR4 GPR3 1117/4885CTNNB1 3229/4885WNT3A 4225/4885

“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.