SCHEMBL7120843

SCHEMBL7120843

Nc1ccc2c(c1)CCN2CCOCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
USP2 O75604 1/20 0.37
CDK4 P11802 1/20 0.37
ALOX15 P16050 1/20 0.37
CCND1 P24385 1/20 0.37
APP P05067 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 2/20 0.34
ESRRG P62508 2/20 0.33

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
SCHEMBL6285804 1.00 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL6290425 0.99 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL18426670 0.83 ATAD2 (0.43) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL16391071 0.80 ATAD2 (0.42) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL30672811 0.80 ATAD2 (0.42) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL25753067 0.80 ALDH1A1 (0.62) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL17525535 0.76 NOS3 (0.36) KDM4EALDH1A1MEN1KMT2AAPP
SCHEMBL6290940 0.76 RARB (0.38) KDM4EALDH1A1MEN1KMT2AAPP
SCHEMBL6287376 0.76 KDM4E (0.35) KDM4EALDH1A1HTR1AHTT
SCHEMBL3656320 0.75 MAPT (0.49) KDM4EALDH1A1MEN1KMT2AUSP2

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-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 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-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 KDM4E 1488/4885ALDH1A1 139/4885MEN1 3505/4885

“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.