SCHEMBL1309801

SCHEMBL1309801

COc1cc(C=O)c(-c2cc(-c3ccccn3)ccc2NCCCO)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
MAPK14 Q16539 1/20 0.36
SMO Q99835 1/20 0.36
FLT3 P36888 3/20 0.36
AXL P30530 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
GAS6 Q14393 2/20 0.36
RAD52 P43351 1/20 0.36
FYN P06241 1/20 0.35
PDE5A O76074 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KRAS P01116 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34

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
SCHEMBL4036647 0.81 ERN1 (0.44) ERN1ALDH1A1MAPTTUBB4ATUBB
SCHEMBL15225913 0.80 ERN1 (0.50) ERN1FYNALDH1A1KRASNPC1
SCHEMBL1307698 0.79 TUBB4A (0.49) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4039533 0.79 ERN1 (0.44) ERN1PDE5AALDH1A1MAPTTUBB4A
SCHEMBL4038387 0.75 ERN1 (0.46) ERN1FLT3ALDH1A1MAPTTUBB4A
SCHEMBL4035877 0.73 ERN1 (0.43) ERN1ALDH1A1NPC1MAPTTUBB4A
SCHEMBL4040624 0.73 ERN1 (0.43) ERN1FYNALDH1A1NPC1MAPT
SCHEMBL4508073 0.69 ERN1 (0.69) ERN1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4036168 0.69 ERN1 (0.42) ERN1PDE5AALDH1A1MAPTTUBB4A
SCHEMBL15226057 0.67 ERN1 (0.43) ERN1ALDH1A1MAPTTUBB4ATUBB

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-8053439-B2 Benzophenone derivatives useful for inhibiting formation of microtubule CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-11-08 US claimed
US-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-11-05 US claimed

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-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE TUBB1, TUBA1C, TUBB6 ERN1 2333/4885MAPK14 208/4885SMO 3391/4885

“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.