SCHEMBL19972031

SCHEMBL19972031

CCCc1cc(CCC)c(CCC)c(N)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
HMGCR P04035 1/20 0.36
ALOX5 P09917 3/20 0.34
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
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
PGAM1 P18669 1/20 0.33
HSD17B3 P37058 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 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
SCHEMBL19972038 0.84 HMGCR (0.36) DHFRGABRA1GABRB2HMGCRALOX5
SCHEMBL5586849 0.81 LDHA (0.40) DHFRGABRA1GABRB2HMGCRALOX5
SCHEMBL11368971 0.81 HMGCR (0.42) HMGCRALOX5PRKCIPTPN1PTPN11
SCHEMBL12339809 0.77 DHFR (0.38) DHFRGABRA1GABRB2HMGCRALOX5
SCHEMBL3804549 0.76 NOS2 (0.36) HMGCRPTPN1PTPN11ALDH1A1HTT
SCHEMBL19971994 0.76 NOS2 (0.32) NOS2
SCHEMBL19972020 0.76 HMGCR (0.40) DHFRHMGCRALOX5PRKCIPTPN1
SCHEMBL12339822 0.76 ALDH1A1 (0.38) DHFRALOX5LDHALDHBHSD17B3
SCHEMBL9690320 0.75 NOS2 (0.33) HMGCRALDH1A1NOS2KDM4E
SCHEMBL5920261 0.74 TYR (0.43) HMGCRALOX5LDHALDHBHTT

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 DHFR 43/4885GABRA1 409/4885GABRB2 640/4885

“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.