SCHEMBL21539632

SCHEMBL21539632

CCCCCCC(C)CCF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
OPRM1 P35372 1/20 0.44
LMNA P02545 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCZ Q05513 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKD1 Q15139 1/20 0.41
DNM1 Q05193 5/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 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
SCHEMBL8173119 0.90 ACE2 (0.52) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL9938853 0.90 ACE2 (0.52) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL10608045 0.90 ACE2 (0.52) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL19026470 0.90 ACE2 (0.52) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL20835139 0.87 ACE2 (0.62) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL20506768 0.87 ACE2 (0.62) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL20506761 0.87 ACE2 (0.62) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL20506756 0.87 ACE2 (0.62) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL21086628 0.87 ACE2 (0.62) ACE2OPRM1LMNASPHK1PRKD3
SCHEMBL22129693 0.87 ACE2 (0.62) ACE2OPRM1LMNASPHK1PRKD3

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-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ACE2 186/4885OPRM1 1405/4885LMNA 542/4885

“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.