SCHEMBL23790789

SCHEMBL23790789

CCCCCC(C)(CCC)OCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FAAH O00519 2/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 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
SCHEMBL25846123 0.86 TDP1 (0.54) TDP1L3MBTL1FAAHCNR1CNR2
SCHEMBL21844332 0.82 CHRNB2 (0.46) TDP1L3MBTL1CHRNB2CHRNA4CYP2D6
SCHEMBL10172770 0.76 CHRNB2 (0.48) TDP1L3MBTL1CHRNB2CHRNA4CYP2D6
SCHEMBL22430399 0.75 TDP1 (0.58) TDP1L3MBTL1FAAHCNR1CNR2
SCHEMBL15677593 0.73 CHRNB2 (0.46) TDP1L3MBTL1CHRNB2CHRNA4CYP2D6
SCHEMBL26806573 0.73 CYP1A2 (0.47) TDP1L3MBTL1CHRNB2CHRNA4CYP3A4
SCHEMBL28856610 0.73 L3MBTL1 (0.60) TDP1L3MBTL1FAAHTLR8TLR7
SCHEMBL13610217 0.73 L3MBTL1 (0.60) TDP1L3MBTL1FAAHTLR8TLR7
SCHEMBL20366346 0.72 TDP1 (0.59) TDP1L3MBTL1FAAHCNR1CNR2
SCHEMBL23934127 0.72 CNR1 (0.45) TDP1L3MBTL1FAAHCNR1CNR2

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-20210275563-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 Atea Pharmaceuticals, Inc. (US) 2021-09-09 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-20210275563-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 PNP, MTAP, ACE2 TDP1 753/4885L3MBTL1 2523/4885FAAH 1719/4885

“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.