SCHEMBL3019575

SCHEMBL3019575

CC(=Cc1ccc([N+](=O)[O-])cc1F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GLO1 Q04760 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ERN1 O75460 1/20 0.40
DYRK1A Q13627 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PTGES O14684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3019574 1.00 ALDH1A1 (0.42) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL3019577 1.00 ALDH1A1 (0.42) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL8620040 0.84 ALDH1A1 (0.47) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL4019892 0.84 ALDH1A1 (0.51) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL4019895 0.84 ALDH1A1 (0.51) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL5517865 0.84 ERN1 (0.47) ALDH1A1MAPTMEN1KMT2AGLO1
Acetic Acid SCHEMBL1591940 0.82 ERN1 (0.53) ALDH1A1HIF1AMAPTMEN1KMT2A
SCHEMBL9551016 0.81 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AGLO1
SCHEMBL9384129 0.81 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AGLO1
SCHEMBL9358684 0.81 ERN1 (0.59) ALDH1A1MAPTMEN1KMT2ATHRB

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
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP 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-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA ALDH1A1 1156/4885HIF1A 682/4885MAPT 4787/4885

“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.