SCHEMBL2954673

SCHEMBL2954673

CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc(N(CCCC)CCCC)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.43
NR1H3 Q13133 11/20 0.43
NR1I2 O75469 1/20 0.43
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 1/20 0.38
CNR2 P34972 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL19089865 0.84 NPC1 (0.41) NR1H2NR1H3ALDH3A1ALDH1A3KDM4E
SCHEMBL17660031 0.84 CNR2 (0.39) NR1H2NR1H3NR1I2ALDH3A1ALDH1A3
SCHEMBL2950543 0.81 CRHR1 (0.42) NR1H2NR1H3NR1I2EGFRERBB2
SCHEMBL10776318 0.79 S1PR1 (0.48) NR1H2NR1H3NR1I2EGFRERBB2
SCHEMBL12304302 0.79 ALDH3A1 (0.45) NR1H2NR1H3NR1I2ALDH3A1ALDH1A3
SCHEMBL2014159 0.78 EGFR (0.47) NR1H2NR1H3EGFRERBB2KDM4E
SCHEMBL17663681 0.78 EGFR (0.47) NR1H2NR1H3EGFRERBB2KDM4E
SCHEMBL768272 0.78 EGFR (0.47) NR1H2NR1H3EGFRERBB2KDM4E
SCHEMBL7153351 0.78 EGFR (0.50) NR1H2NR1H3EGFRERBB2ALDH3A1
SCHEMBL2950313 0.78 SLC16A3 (0.48) NR1H2NR1H3NR1I2EGFRERBB2

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-7759504-B2 Diimmonium compound having perchlorate ion or hexafluorophosphate ion as counter ion with sufficient heat resistance and solubility; photopolymerization initiator and electrophotographic photoreceptor FUJIFILM CORPORATION (JP) 2010-07-20 US disclosed
US-20080255387-A1 TRIARYLAMINE DERIVATIVE FUJIFILM CORPORATION (JP) 2008-10-16 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-20080255387-A1 TRIARYLAMINE DERIVATIVE METTL14, MYH14, TOMM22 NR1H2 911/4885NR1H3 753/4885NR1I2 191/4885

“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.