SCHEMBL3024541

SCHEMBL3024541

CC(=CC(=O)O)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.48
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
MAPK1 P28482 3/20 0.45
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RORC P51449 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3024537 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL3024539 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL16971053 0.88 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL9358690 0.82 L3MBTL1 (0.57) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL9551017 0.82 KMT2A (0.55) ALDH1A1TSHRKMT2AMEN1CYP3A4
SCHEMBL28713222 0.81 KMT2A (0.47) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL2371651 0.80 ALDH1A1 (0.64) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL33664 0.80 ALDH1A1 (0.64) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL30539159 0.80 ALDH1A1 (0.60) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL836536 0.80 ALDH1A1 (0.60) ALDH1A1TDP1TSHRKMT2AMEN1

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 1156/4885TDP1 4309/4885TSHR 37/4885

“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.