SCHEMBL4570532

SCHEMBL4570532

CCCCCCCCCCCCCCCCCCOC[C@](C)(COP(=O)(O)COCCn1cnc2c(Cl)nc(N)nc21)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.49
POLB P06746 4/20 0.42
CYP3A4 P08684 7/20 0.37
CYP2D6 P10635 7/20 0.37
HPRT1 P00492 1/20 0.37
POLA1 P09884 1/20 0.36
POLG P54098 1/20 0.36
MGMT P16455 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL4572451 0.90 POLB (0.42) FGFR1POLBHPRT1POLA1POLG
SCHEMBL4570533 0.88 POLB (0.54) FGFR1POLBHPRT1POLA1POLG
SCHEMBL10044385 0.84 FGFR1 (0.51) FGFR1POLBCYP3A4CYP2D6HPRT1
SCHEMBL4572452 0.77 POLB (0.58) POLBHPRT1POLA1POLG
SCHEMBL10072433 0.76 POLB (0.43) FGFR1POLBHPRT1POLA1POLG
SCHEMBL17617659 0.76 FGFR1 (0.50) FGFR1POLBCYP3A4CYP2D6HPRT1
SCHEMBL17617658 0.74 POLB (0.49) FGFR1POLBHPRT1POLA1POLG
SCHEMBL18470510 0.73 FGFR1 (0.46) FGFR1POLBCYP3A4CYP2D6HPRT1
SCHEMBL17617665 0.73 FGFR1 (0.46) FGFR1POLBCYP3A4CYP2D6HPRT1
SCHEMBL17625523 0.73 POLB (0.51) FGFR1POLBHPRT1POLA1POLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318700-B2 Lung-targeted drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120122818-A1 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 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-20120122818-A1 LUNG-TARGETED DRUGS DGKG, GK, PHOSPHO1 FGFR1 822/4885POLB 4155/4885CYP3A4 3814/4885

“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.