SCHEMBL17429682

SCHEMBL17429682

Cc1ccc(Br)c(CC(C)(C)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
AMY1A P0DUB6 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HSPA5 P11021 1/20 0.32
TRPA1 O75762 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 4/20 0.31
CYP2C9 P11712 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 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
SCHEMBL16425421 0.84 TAAR1 (0.35) FFAR4AMY1ATAAR1HTR2BHTR2A
SCHEMBL8408779 0.81 ESR1 (0.36) ALDH1A1CYP2C9CYP2C19HIF1ATDP1
SCHEMBL14609836 0.78 TAAR1 (0.34) FFAR4AMY1ATAAR1HTR2BHTR2A
SCHEMBL18322182 0.78 KMT2A (0.36) FFAR4AMY1AHTR2AKMT2AMEN1
SCHEMBL17385951 0.77 IDO1 (0.41) TAAR1ADRA1AHPGD
SCHEMBL3023153 0.76 TP53 (0.41) TAAR1KMT2AMEN1L3MBTL1NPC1
SCHEMBL2790749 0.75 AMY1A (0.39) FFAR4AMY1ATAAR1TRPA1KMT2A
SCHEMBL17203591 0.75 ALDH1A1 (0.40) AMY1AKMT2AMEN1L3MBTL1NPC1
SCHEMBL2401345 0.74 RIPK1 (0.45) TAAR1ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL30388724 0.74 RIPK1 (0.45) TAAR1ALDH1A1CYP2C19CYP1A2TSHR

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-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 FFAR4 25/4885AMY1A 2797/4885TAAR1 243/4885

“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.