SCHEMBL14729697

SCHEMBL14729697

Cc1cc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
MCL1 Q07820 1/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
ALOX5AP P20292 1/20 0.39
KDM1A O60341 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 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
SCHEMBL14729659 0.90 KMO (0.42) SRCMCL1HTTL3MBTL1ALDH1A1
SCHEMBL14729696 0.88 MAOB (0.43) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL14729736 0.84 ALOX5AP (0.44) MCL1HTTL3MBTL1ALDH1A1LMNA
SCHEMBL14729677 0.83 SMN1; SMN2 (0.45) HTTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL14729707 0.81 SQOR (0.51) HTTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL14729690 0.81 EGFR (0.45) L3MBTL1LMNAMAPTMAPK1TDP1
SCHEMBL14729734 0.80 CNR1 (0.47) HTTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL12667685 0.80 MRGPRX4 (0.56) MCL1HTTL3MBTL1MAPTMAPK1
SCHEMBL14729713 0.80 TSHR (0.54) HTTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL14729657 0.78 PTGER1 (0.46) PTGER1KDM4E

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-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 SRC 3236/4885MCL1 1042/4885HTT 2309/4885

“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.