SCHEMBL9505579

SCHEMBL9505579

CCc1ccc(CC)c(O)c1N

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.54
GABRB2 P47870 3/20 0.54
FEN1 P39748 1/20 0.41
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
PRKCI P41743 2/20 0.34
DHFR P00374 1/20 0.33
ACHE P22303 1/20 0.31

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
SCHEMBL12797849 0.81 POLB (0.41) GABRA1GABRB2BACE1POLBHTT
SCHEMBL45861 0.81 GABRA1 (0.68) GABRA1GABRB2FEN1ESR1ESR2
SCHEMBL28244698 0.79 GABRA1 (0.43) GABRA1GABRB2FEN1ESR1ESR2
SCHEMBL27157043 0.79 ERN1 (0.44) GABRA1GABRB2
SCHEMBL19972034 0.76 PRKCI (0.48) GABRA1GABRB2PRKCI
Methylamine SCHEMBL27907243 0.75 GABRA1 (0.54) GABRA1GABRB2FEN1ESR1ESR2
SCHEMBL6572166 0.75 TYR (0.43) GABRA1GABRB2ESR1ESR2BACE1
SCHEMBL652985 0.75 BACE1 (0.40) GABRA1GABRB2ESR1ESR2BACE1
SCHEMBL16527810 0.74 GABRA1 (0.59) GABRA1GABRB2FEN1ESR1ESR2
SCHEMBL459601 0.74 POLB (0.37) GABRA1GABRB2FEN1POLBHTT

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 5 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
EP-0294149-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL AND PROCESSING METHOD THEREFORE KONICA CORPORATION (JP) 1993-09-01 EP disclosed
EP-0294149-A2 Silver halide photographic light-sensitive material and processing method therefore KONICA CORPORATION (JP) 1988-12-07 EP 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 640/4885FEN1 3943/4885

“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.