SCHEMBL31690752

SCHEMBL31690752

CC1(C)OB(c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
CYP19A1 P11511 7/20 0.42
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
POLB P06746 2/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27037558 0.91 POLB (0.48) DGAT1MEN1MAPTKMT2ACYP19A1
SCHEMBL25238314 0.89 CYP19A1 (0.44) DGAT1MEN1MAPTKMT2ACYP19A1
SCHEMBL30566075 0.89 CYP19A1 (0.44) DGAT1MEN1MAPTKMT2ACYP19A1
SCHEMBL17474563 0.82 DGAT1 (0.54) DGAT1MEN1MAPTKMT2ATDP1
SCHEMBL18582781 0.82 HTR6 (0.48) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL23794225 0.82 DGAT1 (0.50) DGAT1MEN1MAPTKMT2ACYP19A1
SCHEMBL31748489 0.80 DGAT1 (0.52) DGAT1MAPTTDP1L3MBTL1LPL
SCHEMBL3033971 0.80 ALDH1A1 (0.45) MAPTTDP1L3MBTL1LPLLIPG
SCHEMBL182480 0.79 DGAT1 (0.51) DGAT1KMT2AHTR1AADRA1DADRA1A
SCHEMBL15884409 0.79 EGFR (0.52) DGAT1MEN1KMT2ACTSVCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304549-A1 HYDROXYAMIDE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-10-02 US 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-20250304549-A1 HYDROXYAMIDE DERIVATIVE AND USE THEREOF HDAC1, HDAC11, HDAC5 DGAT1 2063/4885MEN1 3640/4885MAPT 65/4885

“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.