SCHEMBL12640756

SCHEMBL12640756

Nc1cc(O)c(N)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
TDP1 Q9NUW8 6/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
KMT2A Q03164 4/20 0.57
CASP7 P55210 3/20 0.57
MEN1 O00255 3/20 0.57
CYP3A4 P08684 2/20 0.57
CASP1 P29466 2/20 0.57
HSD17B10 Q99714 2/20 0.57
THRB P10828 2/20 0.57
RECQL P46063 2/20 0.57
PTGS2 P35354 2/20 0.57
PTPN1 P18031 2/20 0.57
HPGD P15428 2/20 0.57
TNF P01375 1/20 0.57
HSPD1 P10809 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL8405155 0.85 KDM4E (0.58) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL855371 0.82 ALDH1A1 (0.63) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL999012 0.79 KDM4E (0.63) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL2965583 0.78 AKR1C3 (0.53) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL9039800 0.78 KDM4E (0.68) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL12640833 0.78 KDM4E (0.53) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL2950898 0.78 CYP3A4 (0.57) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL10932482 0.78 KDM4E (0.68) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL2954701 0.78 CASP7 (0.48) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL10316128 0.78 KDM4E (0.53) KDM4ETDP1ALDH1A1MAPTKMT2A

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-20110160175-A1 18,21-Didesoxymacbecin Derivatives for the Treatment of Cancer MARTIN CHRISTINE 2011-06-30 US disclosed
WO-2008056189-A1 18, 21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO 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-20110160175-A1 18,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BCL3, CD22, MEN1 KDM4E 2473/4885TDP1 3541/4885ALDH1A1 2496/4885

“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.