SCHEMBL3030686

SCHEMBL3030686

CC(=CC(=O)O)c1ccc(N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
PDE10A Q9Y233 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL3030682 1.00 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL3030104 0.83 JAK2 (0.44) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL3030108 0.83 JAK2 (0.44) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL3018315 0.81 MAPT (0.41) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL3018312 0.81 MAPT (0.41) ALDH1A1MAPTCYP3A4KDM4EGAA
Hydrochloric Acid SCHEMBL6784407 0.81 NFE2L2 (0.47) ALDH1A1MAPTGAANR4A1NR4A2
SCHEMBL14064972 0.80 PDE10A (0.48) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL27352743 0.80 PDE10A (0.48) ALDH1A1MAPTCYP3A4KDM4EGAA
Acetic Acid SCHEMBL28750958 0.78 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4KDM4EGAA
SCHEMBL99201 0.77 ALDH1A1 (0.61) ALDH1A1MAPTCYP3A4KDM4EGAA

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 1156/4885MAPT 4787/4885CYP3A4 3170/4885

“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.