SCHEMBL19009858

SCHEMBL19009858

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3c4ccccc4c4ccccc4c3c3c2ccc2ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 2/20 0.35
ACP3 P15309 1/20 0.33
CYP1A2 P05177 4/20 0.33
FYN P06241 2/20 0.33
AHR P35869 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
MAPK3 P27361 1/20 0.33
PAX8 Q06710 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 4/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL19009879 0.89 HPRT1 (0.33) ACP3CYP1A2ALDH1A1HPGDLMNA
SCHEMBL18907227 0.88 CYP1A1 (0.34) CYP1A1CYP1B1ACP3CYP1A2FYN
SCHEMBL19009866 0.87 TOP1 (0.35) ACP3ALDH1A1HPGDHSD17B10TOP1
SCHEMBL19009775 0.84 TOP1 (0.36) ALDH1A1MAPTHPGDHSD17B10TOP1
SCHEMBL17034902 0.84 MAPT (0.39) CYP1A1CYP1B1ACP3CYP1A2FYN
SCHEMBL19009789 0.83 TOP1 (0.37) ACP3ALDH1A1HPGDHSD17B10TOP1
SCHEMBL18200342 0.82 MAPT (0.37) CYP1A1CYP1B1ACP3CYP1A2FYN
SCHEMBL19009753 0.81 TOP1 (0.34) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL22606533 0.80 MAPT (0.38) ACP3CYP1A2ALDH1A1MAPTHPGD
SCHEMBL19009859 0.80 ALDH1A1 (0.31) CYP1A2ALDH1A1HPGDHSD17B10THRB

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 CYP1A1 175/4885CYP1B1 234/4885ACP3 4042/4885

“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.