SCHEMBL19009775

SCHEMBL19009775

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc3c(-c4ccccc4)nc4c5ccccc5c5ccccc5c4c3c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.36
DHODH Q02127 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
TYMS P04818 1/20 0.30
ADORA2A P29274 1/20 0.30
NUDT1 P36639 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
RAD52 P43351 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
SCHEMBL19009841 0.91 TOP1 (0.39) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL19009770 0.90 TOP1 (0.35) TOP1
SCHEMBL19009866 0.86 TOP1 (0.35) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL17034970 0.85 DHODH (0.37) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL19009858 0.84 CYP1A1 (0.35) TOP1KDM4EALDH1A1HPGDTSHR
SCHEMBL19009789 0.84 TOP1 (0.37) TOP1DHODHKDM4EALDH1A1HPGD
SCHEMBL19009776 0.84 TOP1 (0.34) TOP1
SCHEMBL19009761 0.84 TOP1 (0.38) TOP1KDM4EALDH1A1HPGDTSHR
SCHEMBL19009771 0.83 TOP1 (0.33) TOP1
SCHEMBL19009795 0.83 TOP1 (0.35) TOP1TYMS

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 TOP1 898/4885DHODH 1619/4885KDM4E 3813/4885

“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.