SCHEMBL21160632

SCHEMBL21160632

c1ccc2c3c(ccc2c1)CN(CCCCN1COc2c(ccc4ccccc24)C1)CO3

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR7 P34969 3/20 0.37
HTR1A P08908 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
HTR2A P28223 2/20 0.36
HTR6 P50406 2/20 0.36
SIGMAR1 Q99720 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
SCHEMBL21160630 0.93 CYP1A2 (0.49) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL13888250 0.85 CYP1A2 (0.42) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL21160841 0.84 CYP1A2 (0.71) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL15827402 0.80 KDM4E (0.58) CYP1A2KDM4EMAPTTDP1ALDH1A1
SCHEMBL12913709 0.75 VDR (0.43) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL12913705 0.74 VDR (0.45) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL21160629 0.73 MAPT (0.48) CYP1A2KDM4EMAPTCYP2C19
SCHEMBL21160631 0.73 HTR1A (0.41) CYP1A2KDM4EMAPTMEN1KMT2A
SCHEMBL21160628 0.72 CYP1A2 (0.38) CYP1A2KDM4EMAPT
SCHEMBL21160837 0.70 CYP1A2 (0.38) CYP1A2KDM4EMAPTMEN1KMT2A

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 273/4885KDM4E 1890/4885MAPT 3830/4885

“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.