SCHEMBL21754756

SCHEMBL21754756

CC(Cc1cc(C(C)(C)C)cc(OCCC2CC2)c1F)c1ccc(F)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.35
▸ TRPV1 Q8NER1 9/20 0.33
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ FABP5 Q01469 1/20 0.32
▸ MOGAT2 Q3SYC2 1/20 0.32
▸ ADRB1 P08588 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ PPARG P37231 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
SCHEMBL20351583 0.81 SCN9A (0.34) SCN9AMOGAT2
SCHEMBL20207598 0.71 SCN9A (0.44) SCN9AMOGAT2
SCHEMBL22548331 0.68 HTR2C (0.36) SCN9AADRA2AADRA2BADRA2C
SCHEMBL20373902 0.67 SCN9A (0.43) SCN9A
SCHEMBL18374371 0.65 SCN9A (0.42) SCN9A
SCHEMBL21350429 0.65 SCN9A (0.40) SCN9AMOGAT2
Hydrochloric Acid SCHEMBL20191182 0.65 SCN9A (0.41) SCN9A
Hydrochloric Acid SCHEMBL20191183 0.65 SCN9A (0.41) SCN9A
SCHEMBL20351723 0.64 SCN9A (0.43) SCN9AFABP3FABP4FABP5
SCHEMBL20201944 0.64 SCN9A (0.43) SCN9A

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-10570098-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-25 — — 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 (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-10570098-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD SCN9A 4663/4885TRPV1 4643/4885FABP3 2939/4885

“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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