SCHEMBL22769339

SCHEMBL22769339

Cn1nccc1-c1ccc(C#Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.45
LIPG Q9Y5X9 12/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE10A Q9Y233 1/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALOX5 P09917 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL15299300 0.92 LPL (0.53) LPLLIPGCYP1A2CYP3A4CYP2D6
SCHEMBL25897184 0.79 LIPG (0.57) LPLLIPGCA1CA2CA9
SCHEMBL21258105 0.76 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL22779156 0.75 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL16899722 0.75 LIPG (0.44) LPLLIPGCYP1A2CYP3A4CYP2D6
SCHEMBL6852088 0.73 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL28561226 0.73 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL21258320 0.73 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL19483212 0.73 LPL (0.50) LPLLIPGKCNH2CA1CA2
SCHEMBL21258294 0.73 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498909-B2 Compound acting as antibiotics KBP BIOSCIENCES CO., LTD. (CN) 2022-11-15 US disclosed
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 US disclosed
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 US disclosed
EP-3750881-A1 COMPOUND ACTING AS ANTIBIOTICS KBP Biosciences Co., Ltd. (CN) 2020-12-16 EP disclosed
EP-3750881-A1 COMPOUND ACTING AS ANTIBIOTICS KBP Biosciences Co., Ltd. (CN) 2020-12-16 EP disclosed
CN-112074507-A Compounds as antibiotics 山东亨利医药科技有限责任公司 2020-12-11 CN 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-11498909-B2 Compound acting as antibiotics PEPD, NRDC, DPP4 LPL 988/4885LIPG 3631/4885CYP1A2 930/4885
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 LPL 988/4885LIPG 3631/4885CYP1A2 930/4885

“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.