SCHEMBL21234872

SCHEMBL21234872

CN(CCOCCC(=O)O)c1ccc2cc(C=O)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.36
RXRA P19793 5/20 0.32
STING1 Q86WV6 3/20 0.32
RXRB P28702 4/20 0.31
PPARG P37231 1/20 0.31
RXRG P48443 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL21160422 0.86 MMP14 (0.40) CYP2A6PPARGHDAC3HDAC4HDAC1
SCHEMBL21036814 0.80 CYP2A6 (0.44) CYP2A6
SCHEMBL21234675 0.78 KMT2A (0.36) PPARG
SCHEMBL21234686 0.72 CYP2A6 (0.53) CYP2A6PPARGCHRNA7
SCHEMBL21160417 0.69 CYP2A6 (0.46) CYP2A6
SCHEMBL22313935 0.66 APP (0.41)
SCHEMBL21234766 0.65 CYP2A6 (0.39) CYP2A6
SCHEMBL12066099 0.64 TSHR (0.47) RXRARXRBHDAC3HDAC4HDAC1
SCHEMBL21160424 0.64 MMP14 (0.43)
SCHEMBL23775612 0.62 SMN1; SMN2 (0.49) CYP2A6HDAC1CA12CA1CA2

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-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 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

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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885RXRA 3880/4885STING1 992/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885RXRA 3880/4885STING1 992/4885

“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.