SCHEMBL3030108

SCHEMBL3030108

CC(=CC(=O)O)c1ccc(N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
HTR2C P28335 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL3030104 1.00 JAK2 (0.44) JAK2TYK2CHRM2CHRM3MAOA
SCHEMBL3030682 0.83 ALDH1A1 (0.42) CYP3A4ALDH1A1MAPTKDM4EGAA
SCHEMBL3030686 0.83 ALDH1A1 (0.42) CYP3A4ALDH1A1MAPTKDM4EGAA
SCHEMBL3018315 0.81 MAPT (0.41) MAOACYP3A4ALDH1A1MAPTKDM4E
SCHEMBL3018312 0.81 MAPT (0.41) MAOACYP3A4ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6900887 0.81 TSHR (0.58) CYP3A4ALDH1A1MAPTKDM4ETSHR
SCHEMBL121403 0.80 JAK2 (0.54) JAK2TYK2CHRM2CHRM3MAOA
SCHEMBL99697 0.77 CASP1 (0.63) JAK2TYK2CHRM2CHRM3MAOA
SCHEMBL2335079 0.77 KMT2A (0.55) JAK2TYK2CHRM2CHRM3MAOA
Hydrochloric Acid SCHEMBL11630591 0.76 CASP1 (0.61) JAK2TYK2CHRM2CHRM3MAOA

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 JAK2 271/4885TYK2 812/4885CHRM2 1597/4885

“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.