SCHEMBL17323593

SCHEMBL17323593

CC[N+](CC)(CC)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP1A2 P05177 5/20 0.36
CYP2A6 P11509 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.35
CYP2C19 P33261 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 2/20 0.35
GPR35 Q9HC97 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL17763376 0.88 HTR2A (0.41) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL12704930 0.82 HTR2A (0.44) HTR2AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17323605 0.79 HTR2A (0.54) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL10106100 0.79 DNM1 (0.42) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL17323585 0.78 HTR2A (0.48) HTR2AL3MBTL1MEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL17311260 0.78 HTR2A (0.52) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL30992096 0.76 HTR2A (0.60) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL168894 0.76 HTR2A (0.60) HTR2AL3MBTL1MEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL28993836 0.74 HTR2A (0.58) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL26858795 0.73 HTR2A (0.47) HTR2AL3MBTL1MEN1KMT2AHSD17B10

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-9490144-B2 Quaternary ammonium salt compound, composition for forming a resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-08 US disclosed
US-20150357204-A1 QUATERNARY AMMONIUM SALT COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-10 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-20150357204-A1 QUATERNARY AMMONIUM SALT COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS ASH2L, ARL1, ASH1L HTR2A 3879/4885L3MBTL1 1033/4885MEN1 2576/4885

“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.