SCHEMBL21037002

SCHEMBL21037002

CC1=CC(C)(C)N(CCO)c2ccc(C=O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 10/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 5/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALOX12 P18054 4/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9374182 0.80 AR (0.41) MEN1KMT2AL3MBTL1POLBNPSR1
SCHEMBL21160473 0.80 EGFR (0.43) POLBCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL21160461 0.76 LMNA (0.53) MEN1KMT2AL3MBTL1NPSR1CYP1A2
SCHEMBL3380584 0.76 KMT2A (0.52) MEN1KMT2AL3MBTL1POLBNPSR1
SCHEMBL21037004 0.75 ALDH1A1 (0.39) MEN1KMT2AL3MBTL1CYP1A2CRHBP
SCHEMBL9724430 0.73 NPSR1 (0.45) MEN1KMT2AL3MBTL1POLBNPSR1
SCHEMBL21160724 0.70 MAPT (0.52) MEN1KMT2APOLBNPSR1CYP1A2
SCHEMBL3378905 0.70 KMT2A (0.49) MEN1KMT2AL3MBTL1POLBNPSR1
SCHEMBL21037882 0.70 MEN1 (0.48) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL2195068 0.67 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1POLBALDH1A1

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 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
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885KMT2A 4751/4885L3MBTL1 616/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885KMT2A 4751/4885L3MBTL1 616/4885

“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.