SCHEMBL19972010

SCHEMBL19972010

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.63
GABRB2 P47870 3/20 0.63
FABP3 P05413 2/20 0.45
FABP4 P15090 2/20 0.45
HIF1A Q16665 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
FABP5 Q01469 1/20 0.44
TRPA1 O75762 2/20 0.42
PTGS1 P23219 1/20 0.42
CACNA1C Q13936 1/20 0.42
RECQL P46063 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL3440745 0.84 GABRA1 (0.50) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL20432611 0.78 GABRA1 (0.47) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL27889312 0.77 GABRA1 (0.45) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL2173349 0.77 GABRA1 (0.68) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL1617739 0.77 GABRA1 (1.00) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL23031072 0.77 CA1 (0.37) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL27439431 0.76 GABRA1 (0.65) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL24115940 0.76 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL19972016 0.76 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4HIF1A
SCHEMBL9864155 0.74 FABP4 (0.44) GABRA1GABRB2FABP3FABP4HIF1A

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 640/4885FABP3 4453/4885

“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.