SCHEMBL3536668

SCHEMBL3536668

O=c1cc(N2CCOCC2)oc2cc3ccccc3cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 1.00
XRCC6 P12956 2/20 1.00
XRCC5 P13010 2/20 1.00
ACE P12821 1/20 0.72
ECE1 P42892 1/20 0.72
PIK3CA P42336 2/20 0.64
PIK3R1 P27986 1/20 0.64
MTOR P42345 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PIK3CD O00329 1/20 0.60
P2RY12 Q9H244 1/20 0.60

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
SCHEMBL31060252 1.00 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL30218216 0.84 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL3361567 0.84 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL31060848 0.81 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL30436407 0.81 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL13346489 0.81 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL3542251 0.80 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL31060404 0.80 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL13435723 0.80 PRKDC (0.81) PRKDCXRCC6XRCC5ACEECE1
SCHEMBL610237 0.78 PRKDC (1.00) PRKDCXRCC6XRCC5ACEECE1

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-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION THE UNITED STATE OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPT OF HEALTH AND HUMAN SERVICE (US) 2010-05-27 US disclosed
US-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION THE UNITED STATE OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPT OF HEALTH AND HUMAN SERVICE (US) 2010-05-27 US disclosed
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 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 (3 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-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION PRKAB1, PRKAG1, PRKAB2 PRKDC 81/4885XRCC6 59/4885XRCC5 80/4885
US-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 PRKDC 92/4885XRCC6 3/4885XRCC5 5/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PRKDC 212/4885XRCC6 4/4885XRCC5 5/4885

“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.