SCHEMBL17323591

SCHEMBL17323591

CC[N+](CC)(CC)CCCOC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GLA P06280 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABCB1 P08183 9/20 0.44
ABCG2 Q9UNQ0 6/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.41

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
Hydrochloric Acid SCHEMBL17311261 0.99 KDM4E (0.44) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL17311259 0.94 KDM4E (0.41) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL16352946 0.92 CHRM2 (0.49) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL16352925 0.86 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL17323599 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL16352984 0.85 ALDH1A1 (0.43) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL15910310 0.84 TSHR (0.58) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL17323600 0.84 TSHR (0.46) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL17323589 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HPGDL3MBTL1GLA
SCHEMBL6880564 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDL3MBTL1GLA

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 KDM4E 308/4885ALDH1A1 2141/4885HPGD 4847/4885

“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.