SCHEMBL21913655

SCHEMBL21913655

CCc1ccc(C(C)C)c2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.36
▸ ADORA1 P30542 4/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PDE7A Q13946 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE7B Q9NP56 1/20 0.30
▸ TERT O14746 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
SCHEMBL20930963 0.86 PDE7A (0.33) ACE2ADORA1ADORA2APDE7AADORA3
SCHEMBL21913653 0.81 LMNA (0.35) ADORA1ADORA2APDE7AADORA3LMNA
SCHEMBL6124132 0.81 ADORA3 (0.31) ACE2ADORA1ADORA2AADORA3LMNA
SCHEMBL20782892 0.80 SLC22A12 (0.42) ACE2
SCHEMBL17208942 0.76 ADORA1 (0.33) ADORA1ADORA2AADORA3LMNA
SCHEMBL8737563 0.76 GPR55 (0.39) LMNA
SCHEMBL24498853 0.74 NEK1 (0.33) —
SCHEMBL14602393 0.74 — —
SCHEMBL14602394 0.70 — —
SCHEMBL6127882 0.68 GPR55 (0.35) LMNA

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-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 — — 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-10597364-B2 Anthelmintic compounds, compositions and method of using thereof CYP8B1, CYP2C8, CYP2B6 ACE2 1228/4885ADORA1 804/4885ADORA2A 1916/4885

“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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