SCHEMBL14389920

SCHEMBL14389920

CCC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ AHR P35869 6/20 0.36
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ CYP2A6 P11509 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL28777719 0.85 GPR84 (0.54) GPR84KIF11CTNNB1WNT3AAHR
SCHEMBL8957501 0.83 GPR84 (0.46) GPR84KIF11CTNNB1WNT3AAHR
SCHEMBL9001533 0.78 GPR84 (0.43) GPR84KIF11CTNNB1WNT3ATHRA
SCHEMBL27117570 0.75 AR (0.32) —
SCHEMBL3334627 0.75 GPR84 (0.47) GPR84KIF11CTNNB1WNT3ATHRA
SCHEMBL12288155 0.75 GPR84 (0.47) GPR84KIF11CTNNB1WNT3ATHRA
SCHEMBL8957480 0.74 GPR84 (0.48) GPR84AHRCYP2A6CSNK2A1MEN1
SCHEMBL17703916 0.73 GPR84 (0.64) GPR84KIF11CTNNB1WNT3AAHR
SCHEMBL5236426 0.73 GPR84 (0.64) GPR84KIF11CTNNB1WNT3AAHR
SCHEMBL2272066 0.71 CSNK2A1 (0.55) GPR84KIF11CTNNB1WNT3AAHR

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-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — 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-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GPR84 469/4885KIF11 4681/4885CTNNB1 930/4885

“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.

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