SCHEMBL19972035

SCHEMBL19972035

CC(C)c1cc(C(C)C)c(C(C)C)c(N)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
GABRA1 P14867 6/20 0.45
GABRB1 P18505 5/20 0.45
GABRB2 P47870 3/20 0.45
ALDH1A1 P00352 2/20 0.42
GSR P00390 1/20 0.38
DHFR P00374 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL19972059 0.83 CA1 (0.43) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL5590049 0.79 CA1 (0.54) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19197818 0.79 CA1 (0.32) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL6681495 0.79 CA1 (0.59) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL23850514 0.74 CA1 (0.43) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19972036 0.74 CA1 (0.38) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19971996 0.74
SCHEMBL341228 0.74 CA1 (0.35) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL8976031 0.73 GAA (0.38) CA1CA2ALDH1A1HIF1AGAA
SCHEMBL6868812 0.72 CA1 (0.64) CA1CA2GABRA1GABRB1GABRB2

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.