SCHEMBL3018315

SCHEMBL3018315

CC(=CC(=O)O)c1ccc(N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 3/20 0.41
GAA P10253 2/20 0.41
ESR2 Q92731 1/20 0.41
PTPN1 P18031 1/20 0.41
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
KDR P35968 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 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
SCHEMBL3018312 1.00 MAPT (0.41) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL6938702 0.83 CES2 (0.55) ALDH1A1NR4A1NR4A2NR4A3CYP2C19
SCHEMBL3030108 0.81 JAK2 (0.44) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3030682 0.81 ALDH1A1 (0.42) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3030104 0.81 JAK2 (0.44) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3030686 0.81 ALDH1A1 (0.42) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL8280039 0.78 MAOB (0.45) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL30476086 0.78 MAOB (0.45) MAPTALDH1A1KDM4ECYP3A4GAA
SCHEMBL3024614 0.78 NR4A1 (0.37) KDM4ECYP3A4NR4A1NR4A2NR4A3
SCHEMBL3024615 0.78 NR4A1 (0.37) KDM4ECYP3A4NR4A1NR4A2NR4A3

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 MAPT 4787/4885ALDH1A1 1156/4885KDM4E 791/4885

“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.