SCHEMBL19921733

SCHEMBL19921733

O[C@H]1CCCC(Oc2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.49
▸ EPHX2 P34913 6/20 0.46
▸ FFAR4 Q5NUL3 2/20 0.45
▸ PARP10 Q53GL7 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ HRH3 Q9Y5N1 7/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ ADRB2 P07550 1/20 0.38

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
SCHEMBL31585029 0.83 EPHX2 (0.44) EPHX2TRPA1
SCHEMBL17123795 0.83 EPHX2 (0.54) FURINEPHX2FFAR4PARP10TRPA1
SCHEMBL16308651 0.83 FURIN (0.49) FURINEPHX2FFAR4PARP10
SCHEMBL20217187 0.83 FURIN (0.49) FURINEPHX2FFAR4PARP10HRH3
SCHEMBL20217186 0.83 FURIN (0.49) FURINEPHX2FFAR4PARP10
SCHEMBL16292007 0.83 FURIN (0.49) FURINEPHX2FFAR4PARP10
SCHEMBL16292008 0.83 FURIN (0.49) FURINEPHX2FFAR4PARP10
SCHEMBL16291678 0.83 FURIN (0.49) FURINEPHX2FFAR4PARP10
SCHEMBL5383373 0.80 FURIN (0.46) FURINEPHX2FFAR4PARP10
SCHEMBL5375836 0.80 FURIN (0.46) FURINEPHX2FFAR4PARP10

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-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 — — 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-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 FURIN 1643/4885EPHX2 1462/4885FFAR4 3343/4885

“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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