SCHEMBL21029007

SCHEMBL21029007

c1ccc2c(c1)OCC21CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
IDO1 P14902 1/20 0.42
AVPR1A P37288 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
SCD O00767 2/20 0.36
NPY5R Q15761 1/20 0.36
S1PR5 Q9H228 2/20 0.35

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
SCHEMBL30079574 1.00 TNKS (0.43) TNKSTNKS2IDO1AVPR1AABCG2
SCHEMBL30954739 0.90 TNKS (0.39) TNKSTNKS2IDO1AVPR1AABCG2
SCHEMBL15144578 0.90 TNKS (0.43) TNKSTNKS2IDO1AVPR1AABCG2
SCHEMBL9057056 0.87 TNKS (0.38) TNKSTNKS2IDO1AVPR1AITGB2
SCHEMBL30954714 0.87 TNKS (0.38) TNKSTNKS2IDO1AVPR1AITGB2
SCHEMBL238700 0.86 TNKS (0.41) TNKSTNKS2IDO1AVPR1AABCG2
SCHEMBL655103 0.86 TNKS (0.41) TNKSTNKS2IDO1AVPR1A
SCHEMBL30954744 0.85 TNKS (0.46) TNKSTNKS2IDO1AVPR1ASCD
Hydrochloric Acid SCHEMBL2801131 0.85 TNKS (0.41) TNKSTNKS2IDO1AVPR1A
SCHEMBL8359869 0.85 TNKS (0.46) TNKSTNKS2IDO1AVPR1ASCD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934278-B2 Compounds AUTIFONY THERAPEUTICS LIMITED (GB) 2021-03-02 US disclosed
US-20190161479-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2019-05-30 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 (2 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-10934278-B2 Compounds KCNA3, KCNN3, KCND3 TNKS 4055/4885TNKS2 4022/4885IDO1 3582/4885
US-20190161479-A1 NOVEL COMPOUNDS KCNN3, KCNA3, KCND3 TNKS 3960/4885TNKS2 3691/4885IDO1 3906/4885

“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.