SCHEMBL19972016

SCHEMBL19972016

CC(C)c1cc(S)c(N)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
FABP4 P15090 3/20 0.42
FABP3 P05413 2/20 0.42
FABP5 Q01469 1/20 0.41
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL3440745 0.85 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL27889312 0.79 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL24115940 0.77 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL11399190 0.76 GABRA1 (0.42) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9864155 0.76 FABP4 (0.44) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL19972010 0.76 GABRA1 (0.63) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20432611 0.76 GABRA1 (0.47) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL878114 0.75 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9861629 0.75 ADRB2 (0.41) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL7063498 0.73 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5

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 GABRA1 409/4885GABRB2 640/4885FABP4 3418/4885

“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.