SCHEMBL21207009

SCHEMBL21207009

Clc1ccc(-c2cccc3c2OCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
CD274 Q9NZQ7 5/20 0.43
PDCD1 Q15116 4/20 0.43
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTT P42858 1/20 0.36
ADRA2A P08913 2/20 0.36

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
SCHEMBL30222517 1.00 CHEK2 (0.46) CHEK2CD274PDCD1STIM1ORAI1
SCHEMBL8714623 0.83 ITGB2 (0.50) CHEK2STIM1ORAI1ITGB2ICAM1
SCHEMBL1772593 0.82 CHEK2 (0.46) CHEK2CD274PDCD1STIM1ORAI1
SCHEMBL3072409 0.80 ITGB2 (0.55) CHEK2ITGB2ICAM1ITGALADRB1
SCHEMBL6962873 0.79 ROCK2 (0.48) CHEK2STIM1ORAI1ITGB2ICAM1
SCHEMBL21198425 0.76 CHEK2 (0.39) CHEK2CD274PDCD1STIM1ORAI1
SCHEMBL30913748 0.75 STK10 (0.47) CHEK2CD274PDCD1
SCHEMBL21198755 0.75 STK10 (0.47) CHEK2CD274PDCD1
SCHEMBL3787577 0.72 ITGB2 (0.50) ITGB2ICAM1ITGALADRB1KDM4E
SCHEMBL29533163 0.72 CHEK2 (0.44) CHEK2CD274PDCD1STIM1ORAI1

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-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
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 CHEK2 1382/4885CD274 3721/4885PDCD1 2417/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS CHEK2 1382/4885CD274 3721/4885PDCD1 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.