SCHEMBL19009823

SCHEMBL19009823

O=P(c1ccccc1)(c1ccccc1)c1cncc(-c2cc3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3c3ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
TOP1 P11387 1/20 0.33
DHODH Q02127 6/20 0.32
CYP2C9 P11712 1/20 0.31
KCNA5 P22460 2/20 0.31
FDPS P14324 3/20 0.31
PDE10A Q9Y233 2/20 0.31
LMNA P02545 1/20 0.31
CYP19A1 P11511 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
TSHR P16473 1/20 0.30
KCNN4 O15554 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TOP2A P11388 1/20 0.30

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
SCHEMBL19009799 0.89 TOP1 (0.35) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009800 0.88 TOP1 (0.38) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009815 0.86 CSNK2A2 (0.39) CYP11B1DHODHCSNK2A2CSNK2BTOP2A
SCHEMBL19009806 0.84 DHFR (0.35) CYP11B1DHODHKCNA5FDPSCSNK2A2
SCHEMBL19009809 0.83 MAPK10 (0.32) TOP1DHODHCYP2C9KCNA5FDPS
SCHEMBL19009770 0.81 TOP1 (0.35) CYP11B1TOP1KCNA5FDPSCYP19A1
SCHEMBL19009814 0.80 TOP1 (0.37) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009801 0.80 LMNA (0.34) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009835 0.80 TOP1 (0.34) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009825 0.79 TOP1 (0.36) TOP1DHODHKCNA5KCNN4ALDH1A1

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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP11B1 341/4885TOP1 898/4885DHODH 1619/4885

“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.