SCHEMBL7991795

SCHEMBL7991795

COc1ccccc1OC(C)(C)C(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL7981702 0.83 HSD11B1 (0.51) CTSDALDH1A1SMN1; SMN2CYP1A2KMT2A
SCHEMBL12670835 0.81 HSD11B1 (0.48) ALDH1A1KDM4EHSD17B10POLBLMNA
SCHEMBL7984033 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL6989689 0.79 HSD17B10 (0.62) ALDH1A1KDM4EMAPTHSD17B10MTNR1A
SCHEMBL9591078 0.77 CA1 (0.48) CTSDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7991793 0.76 CA1 (0.53) ALDH1A1KDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL12670847 0.74 LMNA (0.47) ALDH1A1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL12670956 0.74 TSHR (0.51) ALDH1A1KDM4EMAPTHSD17B10SMN1; SMN2
SCHEMBL12670979 0.73 ADORA2A (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2PDK1
1,2-Dimethoxybenzene SCHEMBL28118612 0.73 CA1 (0.72) CTSDALDH1A1KDM4EMAPTHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 CTSD 1741/4885ALDH1A1 359/4885KDM4E 3912/4885

“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.