SCHEMBL21198059

SCHEMBL21198059

COC(=O)c1ccc(Nc2ccc(-c3cccc4c3OCCO4)nc2OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.69
KRAS P01116 1/20 0.69
PDCD1 Q15116 5/20 0.38
CD274 Q9NZQ7 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 2/20 0.37
CHEK2 O96017 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL21207183 0.92 HRAS (0.69) HRASKRASPDCD1CD274KDM4E
SCHEMBL21207076 0.86 HRAS (0.71) HRASKRASPDCD1CD274CTNNB1
SCHEMBL30913802 0.86 HRAS (0.74) HRASKRASPDCD1CD274KDM4E
SCHEMBL30222612 0.86 HRAS (0.74) HRASKRASPDCD1CD274ALDH1A1
SCHEMBL21207083 0.86 HRAS (0.74) HRASKRASPDCD1CD274ALDH1A1
SCHEMBL21198782 0.86 HRAS (0.74) HRASKRASPDCD1CD274KDM4E
SCHEMBL21198599 0.85 HRAS (0.79) HRASKRASPDCD1CD274
SCHEMBL21198764 0.85 HRAS (0.61) HRASKRASPDCD1CD274KDM4E
SCHEMBL30913763 0.85 HRAS (0.61) HRASKRASPDCD1CD274KDM4E
SCHEMBL21198397 0.84 HRAS (0.80) HRASKRASPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-20210009576-A1 COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-01-14 US disclosed
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO 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 (2 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-20210009576-A1 COMPOUNDS KRAS, NRAS, HRAS HRAS 3/4885KRAS 1/4885PDCD1 2417/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS HRAS 3/4885KRAS 1/4885PDCD1 2417/4885

“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.