SCHEMBL4590870

SCHEMBL4590870

CC(C)Oc1ccnc2c1ccc1c(OC(C)C)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.38
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MCHR1 Q99705 1/20 0.36
ATR Q13535 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL13385159 0.83 SLC40A1 (0.35) CCR1CCR5CCR8MEN1POLB
SCHEMBL30614513 0.81 MEN1 (0.40) MEN1POLBKMT2ACDK2CDK5
SCHEMBL13757501 0.81 NR4A2 (0.51) MEN1POLBKMT2ACDK9CDK5
SCHEMBL13409381 0.81 MEN1 (0.40) MEN1POLBKMT2ACDK2CDK5
SCHEMBL13409380 0.78 NCF1 (0.46) MEN1POLBKMT2ACDK2CDK5
Hydrochloric Acid SCHEMBL5931133 0.78 ATR (0.33) CCR1CCR5CCR8MEN1POLB
SCHEMBL185654 0.76 CCR1 (0.50) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL12282776 0.75 MAPT (0.47) MEN1KMT2AIRAK4MAPTNPC1
SCHEMBL12180599 0.74 MEN1 (0.50) CCR1CCR5CCR8MEN1POLB
SCHEMBL27399036 0.73 L3MBTL1 (0.52) CCR1CCR5CCR8MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546168-A4 PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT PURDUE RESEARCH FOUNDATION (US) 2008-03-12 EP disclosed
US-20060111335-A1 Photoactivated anti-viral and anti-cancer agent PURDUE RESEARCH FOUNDATION 2006-05-25 US disclosed
EP-1546168-A2 PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT PURDUE RESEARCH FOUNDATION (US) 2005-06-29 EP disclosed
WO-2004012667-A2 PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT PURDUE RESEARCH FOUNDATION (US) 2004-02-12 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 (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-20060111335-A1 Photoactivated anti-viral and anti-cancer agent TP53, POLI, POLK CCR1 4643/4885CCR5 4137/4885CCR8 4400/4885

“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.