SCHEMBL19009736

SCHEMBL19009736

c1cc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc(-c2nc3c4ccccc4c4ccccc4c3c3c2ccc2cccnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 4/20 0.35
CCR1 P32246 4/20 0.35
CCR8 P51685 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
CCR5 P51681 2/20 0.35
MMP2 P08253 2/20 0.35
TSHR P16473 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL19009714 0.90 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009763 0.88 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009707 0.85 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009744 0.81 KDM4E (0.44) CYP1A2ALDH1A1KDM4EMAPTHTT
SCHEMBL19009725 0.80 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21757138 0.80 CCR1 (0.39) ALDH1A1LMNAKDM4ECCR1CCR8
SCHEMBL19009742 0.80 CYP11B1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009737 0.79 MEN1 (0.42) CYP1A2ALDH1A1LMNAKDM4ECCR1
SCHEMBL21537367 0.79 CCR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009827 0.79 CSNK2A2 (0.38) CYP1A2ERBB2FYNMAOAACHE

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 CYP1A2 627/4885ERBB2 4724/4885FYN 4482/4885

“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.