SCHEMBL21160841

SCHEMBL21160841

c1ccc2c3c(ccc2c1)CN(Cc1ccc(CN2COc4c(ccc5ccccc45)C2)cc1)CO3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
HTR1A P08908 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL21160632 0.84 CYP1A2 (0.52) CYP1A2CYP2C19MAPTKDM4ETDP1
SCHEMBL18134602 0.83 CYP1A2 (1.00) CYP1A2ALOX15CYP2C19MAPTKDM4E
SCHEMBL21160630 0.80 CYP1A2 (0.49) CYP1A2MAPTKDM4ETDP1KMT2A
SCHEMBL15827402 0.75 KDM4E (0.58) CYP1A2MAPTKDM4ETDP1
SCHEMBL24604164 0.75 CYP1A2 (0.53) CYP1A2ALOX15CYP2C19MAPTKDM4E
SCHEMBL12913709 0.74 VDR (0.43) CYP1A2MAPTKDM4EGAAHTT
SCHEMBL13888250 0.73 CYP1A2 (0.42) CYP1A2MAPTKDM4EKMT2AMEN1
SCHEMBL12913705 0.73 VDR (0.45) CYP1A2MAPTKDM4ELMNAGAA
SCHEMBL21160629 0.72 MAPT (0.48) CYP1A2CYP2C19MAPTKDM4ETHRB
SCHEMBL12599868 0.72 CYP1A2 (0.49) CYP1A2ALOX15MAPTKDM4ELMNA

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-11215928-B2 Composition for resist underlayer film formation, resist underlayer film and method for forming the same, and production method of a patterned substrate JSR CORPORATION (JP) 2022-01-04 US disclosed
US-20190212650-A1 COMPOSITION FOR RESIST UNDERLAYER FILM FORMATION, RESIST UNDERLAYER FILM AND METHOD FOR FORMING THE SAME, AND PRODUCTION METHOD OF A PATTERNED SUBSTRATE JSR CORPORATION (JP) 2019-07-11 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-11215928-B2 Composition for resist underlayer film formation, resist underlayer film and method for forming the same, and production method of a patterned substrate TOP1, OXA1L, RER1 CYP1A2 273/4885ALOX15 1370/4885CYP2C19 1452/4885

“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.