SCHEMBL21024968

SCHEMBL21024968

CC(C)(C)Cc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ F11 P03951 1/20 0.50
▸ AR P10275 1/20 0.48
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 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
SCHEMBL20671970 0.84 CA12 (0.51) CA12CA9F11ARMAPT
SCHEMBL764001 0.81 CA12 (0.59) CA12CA9F11ARMAPT
SCHEMBL6194384 0.78 CA12 (0.51) CA12CA9F11ARMAPT
SCHEMBL19376174 0.77 CA12 (0.55) CA12CA9F11ARMAPT
SCHEMBL27239601 0.77 CA12 (0.55) CA12CA9F11ARMAPT
SCHEMBL16044071 0.77 F11 (0.59) CA12CA9F11ARMAPT
SCHEMBL15230239 0.77 CA12 (0.55) CA12CA9F11ARMAPT
SCHEMBL30636806 0.77 CA12 (0.55) CA12CA9F11ARMAPT
SCHEMBL19386408 0.77 CA12 (0.54) CA12CA9F11ARMAPT
SCHEMBL9269642 0.77 CA12 (0.54) CA12CA9F11ARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 — — US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 — — 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 (3 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 CA12 3847/4885CA9 2317/4885F11 4622/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CA12 3467/4885CA9 1405/4885F11 1030/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 CA12 3847/4885CA9 2317/4885F11 4622/4885

“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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