SCHEMBL13846458

SCHEMBL13846458

C/C(=C/C(=O)c1ccccc1)Nc1cccc2c1oc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
MAPK1 P28482 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 6/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 4/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 3/20 0.44

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
SCHEMBL20887170 0.80 GPR35 (0.61) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL2340722 0.80 GPR35 (0.56) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL3074602 0.79 RAB9A (0.60) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL3074598 0.79 RAB9A (0.60) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7369018 0.78 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL23439021 0.76 GPR35 (0.39) MAPTMAPK1GAAKMT2AMEN1
SCHEMBL29757921 0.75 GAA (0.54) RAB9ANPC1TP53HSD17B10GAA
SCHEMBL20887166 0.73 GPR35 (0.59) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL20887143 0.73 SMN1; SMN2 (0.58) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL13918368 0.73 TP53 (0.58) MAPTRAB9ANPC1MAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 US disclosed
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 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 (2 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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885RAB9A 4804/4885NPC1 1139/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885RAB9A 4804/4885NPC1 1139/4885

“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.