SCHEMBL19972020

SCHEMBL19972020

CCCc1cc(O)c(N)c(CCC)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
IKBKB O14920 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
MAPK1 P28482 3/20 0.34
HTT P42858 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 3/20 0.33
RECQL P46063 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
THRB P10828 2/20 0.33
APEX1 P27695 2/20 0.33

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
SCHEMBL31633427 0.81 HMGCR (0.44) HMGCRPTPN1PTPN11MAPK1HTT
SCHEMBL4806602 0.81 HMGCR (0.44) HMGCRPTPN1PTPN11MAPK1HTT
SCHEMBL5589047 0.79 HMGCR (0.42) HMGCRPTPN1PTPN11MAPK1HTT
SCHEMBL19972018 0.78 NOS2 (0.32) IKBKBNOS2
SCHEMBL19972031 0.76 DHFR (0.37) HMGCRPTPN1PTPN11HTTALOX5
SCHEMBL19972011 0.76 PRKCI (0.44) HMGCRHTTCNR1CNR2ALOX5
Formaldehyde SCHEMBL11068310 0.76 PTPN1 (0.41) HMGCRPTPN1PTPN11MAPK1HTT
SCHEMBL19972038 0.76 HMGCR (0.36) HMGCRIKBKBPTPN1PTPN11MAPK1
SCHEMBL31545962 0.75 HMGCR (0.42) HMGCRPTPN1PTPN11MAPK1HTT
SCHEMBL14686012 0.73 PTPN1 (0.55) HMGCRPTPN1PTPN11HTTHPGD

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 HMGCR 3477/4885IKBKB 3405/4885PTPN1 4669/4885

“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.