SCHEMBL19422611

SCHEMBL19422611

CCC(C)(C)C(=O)Nc1ccccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
RIPK1 Q13546 4/20 0.53
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.48
THRB P10828 2/20 0.48
ALOX12 P18054 1/20 0.48
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LPAR1 Q92633 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL16500999 0.82 CETP (0.61) POLBLMNAALDH1A1GAATHRB
SCHEMBL10027976 0.81 LMNA (0.59) POLBLMNARIPK1ALDH1A1GAA
SCHEMBL7207413 0.80 LMNA (0.61) POLBLMNARIPK1ALDH1A1GAA
SCHEMBL12963094 0.80 LMNA (0.57) POLBLMNARIPK1ALDH1A1GAA
SCHEMBL7219667 0.79 ALDH1A1 (0.54) POLBLMNAALDH1A1GAATHRB
SCHEMBL5879414 0.79 LMNA (0.65) POLBLMNARIPK1ALDH1A1GAA
SCHEMBL28741300 0.79 LMNA (0.56) POLBLMNARIPK1ALDH1A1GAA
SCHEMBL12863534 0.79 POLB (0.56) POLBLMNARIPK1ALDH1A1GAA
SCHEMBL6448297 0.78 ALDH1A1 (0.55) POLBLMNAALDH1A1GAATHRB
SCHEMBL6362837 0.78 LMNA (0.55) POLBLMNARIPK1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000458-B2 Production method of 1, 2, 4-triazole compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-06-19 US disclosed
US-10000458-B2 Production method of 1, 2, 4-triazole compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-06-19 US disclosed
US-20170283383-A1 PRODUCTION METHOD OF 1, 2, 4-TRIAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283383-A1 PRODUCTION METHOD OF 1, 2, 4-TRIAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US 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 (2 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-10000458-B2 Production method of 1, 2, 4-triazole compound HRH4, HRH3, HRH2 POLB 2953/4885LMNA 4356/4885RIPK1 3283/4885
US-20170283383-A1 PRODUCTION METHOD OF 1, 2, 4-TRIAZOLE COMPOUND HRH4, HRH3, HRH2 POLB 2953/4885LMNA 4356/4885RIPK1 3283/4885

“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.