SCHEMBL19972038

SCHEMBL19972038

CCCc1cc(CCC)c(CCC)c(O)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
DHFR P00374 2/20 0.34
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
PRKCI P41743 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
NOS2 P35228 1/20 0.32
IKBKB O14920 1/20 0.31
USP7 Q93009 1/20 0.31
ALOX5 P09917 1/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL11368971 0.85 HMGCR (0.42) HMGCRLDHALDHBPRKCIPTPN1
SCHEMBL19972031 0.84 DHFR (0.37) HMGCRDHFRGABRA1GABRB2LDHA
SCHEMBL5586849 0.81 LDHA (0.40) HMGCRDHFRGABRA1GABRB2LDHA
SCHEMBL3804549 0.81 NOS2 (0.36) HMGCRPTPN1PTPN11NOS2IKBKB
SCHEMBL19972020 0.76 HMGCR (0.40) HMGCRDHFRPRKCIPTPN1PTPN11
SCHEMBL11365337 0.76 PRKCI (0.37) HMGCRDHFRGABRA1GABRB2LDHA
SCHEMBL19972029 0.76 NOS2 (0.32) NOS2
SCHEMBL11368563 0.76 PRKCI (0.37) HMGCRDHFRGABRA1GABRB2LDHA
SCHEMBL31545962 0.75 HMGCR (0.42) HMGCRGABRA1GABRB2LDHALDHB
SCHEMBL3802566 0.75 HTT (0.39) HMGCRDHFRPTPN1PTPN11NOS2

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 3477/4885DHFR 43/4885GABRA1 409/4885

“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.