SCHEMBL18879938

SCHEMBL18879938

C[C@H]1CCO[C@]1(C)COC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA5 P30532 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL21082486 0.84 GAA (0.44) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL19261912 0.84 LMNA (0.41) SCN1ASCN2ASCN3ALMNACHRNB2
SCHEMBL15106358 0.77 ALDH1A1 (0.40) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL15106356 0.77 ALDH1A1 (0.40) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL26290153 0.76 LMNA (0.44) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL38654273 0.74 TDP1 (0.50) LMNATDP1TSHRKMT2AALDH1A1
SCHEMBL18573967 0.73 LMNA (0.44) SCN1ASCN2ASCN3ALMNACHRNB2
SCHEMBL30670557 0.73 ABCB1 (0.39) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL15274672 0.72 LMNA (0.46) LMNATDP1TSHRKMT2AALDH1A1
SCHEMBL712023 0.72 LMNA (0.43) LMNATDP1TSHRKMT2AALDH1A1

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-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — 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-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B SCN1A 1378/4885SCN2A 2261/4885SCN3A 1543/4885

“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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