SCHEMBL19972036

SCHEMBL19972036

CC(C)c1cc(O)c(N)c(C(C)C)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GABRA1 P14867 6/20 0.38
GABRB2 P47870 4/20 0.38
LMNA P02545 3/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2B P41595 2/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
GABRB1 P18505 4/20 0.35
ACHE P22303 1/20 0.35
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL12096306 0.79 CA1 (0.42) CA1CA2GABRA1GABRB2LMNA
SCHEMBL10339164 0.77 GAA (0.38) CA1CA2HIF1AALDH1A1GAA
SCHEMBL19972003 0.76 CA1 (0.30) CA1CA2
SCHEMBL22864346 0.76 ALDH1A1 (0.39) CA1CA2LMNASLC6A2HTR2B
SCHEMBL19972035 0.74 CA1 (0.48) CA1CA2GABRA1GABRB2LMNA
SCHEMBL7771678 0.74 LMNA (0.42) CA1CA2GABRA1GABRB2LMNA
SCHEMBL19972059 0.74 CA1 (0.43) CA1CA2GABRA1GABRB2LMNA
SCHEMBL28126682 0.71 CA1 (0.35) CA1CA2GABRA1GABRB2LMNA
SCHEMBL67859 0.70 LMNA (0.58) CA1CA2GABRA1GABRB2LMNA
SCHEMBL4634575 0.70 CA1 (0.39) CA1CA2GABRA1GABRB2LMNA

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-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 CA1 3327/4885CA2 4044/4885GABRA1 409/4885

“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.