SCHEMBL19961749

SCHEMBL19961749

OB(O)c1ccc2c(ccc3cc4sc5ccccc5c4cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR3 P46089 1/20 0.41
▸ MGLL Q99685 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ PTPN7 P35236 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN12 Q05209 1/20 0.33
▸ PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL31526903 0.88 CA1 (0.53) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL29418151 0.84 GPR3 (0.54) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL2158388 0.84 GPR3 (0.54) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL31818 0.81 GPR3 (0.54) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL29395493 0.80 CA1 (0.53) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL25490982 0.78 MAPT (0.44) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL275940 0.77 CA1 (0.69) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL29955961 0.77 CA1 (0.69) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL29868851 0.77 CA1 (0.69) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL19961748 0.77 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — US disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 CA1 3614/4885CA2 4166/4885ALDH1A1 133/4885

“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.

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