SCHEMBL99078

SCHEMBL99078

CC(C)(C)[Si](C)(C)OCc1ccc2cc(NC(=O)CCc3ccc(-c4ccccc4)c(NC(=O)O)c3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.42
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
PLAU P00749 1/20 0.40
MCHR1 Q99705 1/20 0.39
RAB9A P51151 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP1A2 P05177 1/20 0.38
GHSR Q92847 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL98208 0.95 HCAR2 (0.41) HCAR2RAB9ACYP1A2MEN1ALDH1A1
SCHEMBL99813 0.92 HCAR2 (0.44) HCAR2TOP2ATOP2BRAB9AGHSR
SCHEMBL102843 0.89 HCAR2 (0.42) HCAR2RAB9ALMNAMAPTKMT2A
SCHEMBL101458 0.87 HCAR2 (0.45) HCAR2RAB9AMEN1ALDH1A1LMNA
SCHEMBL100167 0.87 SMN1; SMN2 (0.43) HCAR2RAB9AMEN1ALDH1A1MAPT
SCHEMBL100524 0.86 RORC (0.43) HCAR2RAB9AMEN1ALDH1A1LMNA
SCHEMBL101812 0.86 PTGDR2 (0.42) HCAR2RAB9AMAPT
SCHEMBL99071 0.86 RAB9A (0.43) HCAR2RAB9AMEN1LMNAKMT2A
SCHEMBL102082 0.85 RAB9A (0.44) HCAR2RAB9A
SCHEMBL100652 0.85 HCAR2 (0.44) HCAR2RAB9AMEN1HPGDKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 HCAR2 42/4885TOP2A 3076/4885TOP2B 2881/4885

“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.