SCHEMBL21160731

SCHEMBL21160731

CC(C)(C)/C=C(\C#N)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13966679 0.82 CYP2C9 (0.34) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL5441460 0.82 ADORA2A (0.40) CYP2C9MEN1ALDH1A1KMT2A
SCHEMBL7548580 0.82 CYP2C9 (0.34) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL5441461 0.82 ADORA2A (0.40) CYP2C9MEN1ALDH1A1KMT2A
SCHEMBL21234714 0.78 CYP2C9 (0.34) CYP2C9CTSKALDH1A1
SCHEMBL21160714 0.77 ALDH1A1 (0.44) CYP2C9MEN1ALDH1A1KMT2A
SCHEMBL8853279 0.77 CYP2C9 (0.59) CYP2C9MEN1ALDH1A1KMT2A
SCHEMBL8853275 0.77 CYP2C9 (0.59) CYP2C9MEN1ALDH1A1KMT2A
SCHEMBL21160710 0.77 CTSK (0.33) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL4739622 0.77 CYP2C9 (0.59) CYP2C9MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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 (4 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF CYP2C9 4726/4885CTSK 1116/4885MEN1 2099/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN CYP2C9 4826/4885CTSK 2284/4885MEN1 1100/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CYP2C9 2102/4885CTSK 690/4885MEN1 3709/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CYP2C9 2102/4885CTSK 690/4885MEN1 3709/4885

“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.