SCHEMBL31290955

SCHEMBL31290955

CC1(C)OB(c2cc(O)cc([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
GPR35 Q9HC97 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3805692 1.00 KMT2A (0.41) KMT2AMEN1HTTLMNAGPR35
SCHEMBL1572672 0.88 CYP19A1 (0.45) KMT2AMEN1HTTLMNAGPR35
SCHEMBL30339941 0.82 TSHR (0.55) KMT2AMEN1HTTLMNAGPR35
SCHEMBL3497830 0.81 ALDH1A1 (0.40) KMT2AMEN1HTTLMNAGPR35
SCHEMBL4161612 0.81 LPL (0.44) KMT2AMEN1HTTLMNAGPR35
SCHEMBL2496856 0.81 MAPT (0.41) KMT2AMEN1HTTLMNAGPR35
SCHEMBL28628663 0.80 LPL (0.44) HIF1ACA1CA2LPLLIPG
SCHEMBL16426120 0.80 LPL (0.44) HIF1ACA1CA2LPLLIPG
SCHEMBL29563739 0.80 TP53 (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10225795 0.80 TP53 (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT

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-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH KMT2A 2661/4885MEN1 3726/4885HTT 2742/4885

“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.