SCHEMBL19972011

SCHEMBL19972011

CCCc1ccc(O)c(N)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.44
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 2/20 0.38
TYR P14679 3/20 0.37
HMGCR P04035 1/20 0.36
NOS2 P35228 1/20 0.35
BACE1 P56817 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP7 Q93009 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL27586295 0.85 TYR (0.50) PRKCIALOX5TYRMEN1TP53
SCHEMBL27454188 0.84 PRKCI (0.44) PRKCICNR1CNR2ALOX5TYR
SCHEMBL28898830 0.83 TYR (0.57) ALOX5TYRACHEMEN1TP53
SCHEMBL11700431 0.83 NOS2 (0.39) PRKCINOS2USP7ELANECTSG
SCHEMBL28183531 0.82 TYR (0.60) ALOX5TYRACHEMEN1TP53
SCHEMBL21878594 0.82 TYR (0.60) ALOX5TYRACHEMEN1TP53
SCHEMBL28809895 0.82 CNR1 (0.39) PRKCICNR1CNR2NOS2MEN1
SCHEMBL981537 0.81 PRKCI (0.48) PRKCICNR1CNR2ALOX5TYR
SCHEMBL28407451 0.80 PRKCI (0.32) PRKCITYRBACE1ACHE
SCHEMBL16528015 0.79 PRKCI (0.47) PRKCICNR1CNR2ALOX5TYR

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 PRKCI 4282/4885CNR1 3668/4885CNR2 2573/4885

“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.