SCHEMBL13849356

SCHEMBL13849356

COc1cc(OC)c(N2CCOCC2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 1/20 0.46
PRKDC P78527 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PDE10A Q9Y233 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41
CCR5 P51681 1/20 0.41
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
P2RY12 Q9H244 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
MAPT P10636 3/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1911859 0.93 PRKDC (0.45) SUV39H2PRKDCALDH1A1PDE10AHPGD
SCHEMBL13849349 0.85 ALDH1A1 (0.58) SUV39H2PRKDCALDH1A1PDE10AHPGD
SCHEMBL23153727 0.85 LGMN (0.44) PRKDCALDH1A1HPGDTSHRNPSR1
SCHEMBL24742953 0.82 PRKDC (0.42) PRKDCALDH1A1PDE10AHPGDAKR1C3
SCHEMBL4094752 0.81 LGMN (0.46) PRKDCALDH1A1PDE10AAKR1C3MAPT
SCHEMBL23153812 0.79 HTT (0.58) ALDH1A1NPSR1MAPTCYP2C19SMN1; SMN2
SCHEMBL12385978 0.78 POLB (0.48) PRKDCALDH1A1HPGDNPSR1AKR1C3
SCHEMBL1911908 0.78 LGMN (0.46) PRKDCALDH1A1PDE10AAKR1C3MAPT
SCHEMBL12046912 0.78 ALDH1A1 (0.50) PRKDCALDH1A1HPGDNPSR1AKR1C3
SCHEMBL20626398 0.77 APP (0.44) PRKDCALDH1A1PDE10AAKR1C3MAPT

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-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS SUV39H2 2602/4885PRKDC 1273/4885ALDH1A1 731/4885

“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.