SCHEMBL10028037

SCHEMBL10028037

COc1ccccc1-c1ncc2ccccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ADORA2A P29274 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
DHODH Q02127 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TACR3 P29371 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL10000555 0.82 KMT2A (0.45) NPC1ADORA2AALDH1A1HPGDDHODH
SCHEMBL10027991 0.82 CTSD (0.42) NPC1RAB9AALDH1A1HPGDDHODH
SCHEMBL10000567 0.77 PDE10A (0.43) ALDH1A1HPGDDHODHKDM4EHSD17B10
SCHEMBL10028000 0.75 DHODH (0.51) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10028044 0.74 ADORA2A (0.52) NPC1RAB9AADORA2AALDH1A1HPGD
SCHEMBL29788069 0.73 EGLN1 (0.50) ALDH1A1HPGDSMN1; SMN2CA12CA1
SCHEMBL2043505 0.73 EGLN1 (0.50) ALDH1A1HPGDSMN1; SMN2CA12CA1
SCHEMBL31167928 0.72 ALDH1A1 (0.47) NPC1RAB9AADORA2AALDH1A1HPGD
SCHEMBL979842 0.71 CA12 (0.58) ALDH1A1HPGDSMN1; SMN2CA12CA1
SCHEMBL31167707 0.71 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2DHODHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 NPC1 1702/4885RAB9A 720/4885ADORA2A 3503/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 NPC1 1702/4885RAB9A 720/4885ADORA2A 3503/4885

“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.