SCHEMBL19853488

SCHEMBL19853488

CC(C)(C)c1ccc(OC(F)(F)F)cc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GPR3 P46089 2/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.34
▸ GALR2 O43603 2/20 0.34
▸ GALR1 P47211 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ KCNQ3 O43525 2/20 0.34
▸ KCNQ2 O43526 2/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL19846880 0.83 PTGDR2 (0.48) ATMPTGDR2
SCHEMBL16562301 0.79 MEN1 (0.46) TRPV1SLC6A4TMEM97SIGMAR1KIF11
SCHEMBL30609128 0.78 FFAR4 (0.40) KIF11GPR3EPHX2HRH4EPHX1
SCHEMBL20526515 0.75 HRH4 (0.43) TRPV1SLC6A4KIF11GPR3EPHX2
SCHEMBL26794589 0.74 TRPV1 (0.42) TRPV1TAS1R3TAS1R1TAS1R2KIF11
SCHEMBL16838799 0.72 GRM7 (0.45) PTGDR2
SCHEMBL13439935 0.72 GPR3 (0.44) TRPV1KIF11GPR3HRH4SLC6A3
SCHEMBL14155817 0.72 PDE2A (0.45) TRPV1KIF11GPR3SLC6A3
SCHEMBL25589644 0.72 GPR3 (0.43) TRPV1KIF11GPR3SLC6A3
SCHEMBL21617078 0.71 GPR3 (0.40) TRPV1SLC6A4KIF11GPR3HRH4

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-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — 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-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 TRPV1 2049/4885TAS1R3 651/4885TAS1R1 981/4885

“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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