SCHEMBL21165084

SCHEMBL21165084

CCN(CC)c1ccc(C2OCCO2)c(/C=C2\CC3(C/C(=C\c4cc(N(CC)CC)ccc4C4OCCO4)C2=O)OCCO3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.34
MEN1 O00255 10/20 0.34
KMT2A Q03164 10/20 0.34
HPGD P15428 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
LMNA P02545 4/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 7/20 0.33
KDM4E B2RXH2 5/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 2/20 0.32
GLA P06280 2/20 0.32
IGLV6-57 P01721 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL21165239 0.86
SCHEMBL21165162 0.79 NFE2L2 (0.43) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL21165152 0.76 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL21165163 0.68 NFE2L2 (0.33) ALDH1A1MEN1KMT2AGAA
SCHEMBL1416417 0.62 S100B (0.45) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL1416418 0.62 S100B (0.45) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL9342036 0.61 ACHE (0.49) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL9632481 0.61 S100B (0.43) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL11319345 0.61 ACHE (0.49) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL11041194 0.60 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351706-B2 Near-infrared fluorescent dyes and uses thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-07-16 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 (1 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-10351706-B2 Near-infrared fluorescent dyes and uses thereof IK, CYBA, CRY2 ALDH1A1 192/4885MEN1 1633/4885KMT2A 3888/4885

“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.