SCHEMBL4841637

SCHEMBL4841637

Nc1ccc(Oc2cc3ccccc3cc2Oc2ccc(N)c(O)c2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
RCE1 Q9Y256 1/20 0.53
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A1 P22736 1/20 0.42
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MMP2 P08253 1/20 0.40
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F10 P00742 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL716943 0.89 GAA (0.52) GAARCE1MAPTLMNAHTT
SCHEMBL2747475 0.84 GAA (0.49) GAARCE1MAPTLMNAHTT
SCHEMBL30040301 0.82 NR4A1 (0.61) GAAMAPTALOX15CYP3A4HSD17B10
SCHEMBL436522 0.82 NR4A1 (0.61) GAAMAPTALOX15CYP3A4HSD17B10
SCHEMBL564952 0.81 LTA4H (0.59) GAAMAPTALOX15CYP3A4HSD17B10
SCHEMBL30233344 0.81 LTA4H (0.59) GAAMAPTALOX15CYP3A4HSD17B10
SCHEMBL11224092 0.81 GAA (0.45) GAARCE1MAPTLMNAHTT
SCHEMBL4840838 0.80 NR4A1 (0.54) GAARCE1MAPTLMNAHTT
SCHEMBL4849002 0.80 GAA (0.47) GAARCE1MAPTLMNAHTT
Hydrochloric Acid SCHEMBL10770715 0.80 NR4A1 (0.58) GAAMAPTALOX15CYP3A4HSD17B10

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-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US disclosed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 GAA 682/4885RCE1 212/4885MAPT 4457/4885

“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.