SCHEMBL4246223

SCHEMBL4246223

CC(=O)c1cccc(C2OCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL13414993 0.93 SMN1; SMN2 (0.45) PARP1DRD3SMN1; SMN2LMNANPC1
SCHEMBL5423204 0.86 PARP1 (0.49) PARP1NPC1RAB9AALDH1A1HPGD
SCHEMBL2282510 0.84 KMO (0.56) PARP1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL6697278 0.83 PARP1 (0.68) PARP1TDP1
SCHEMBL13962635 0.83 PARP1 (0.46) PARP1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL310551 0.83 PARP1 (0.39) PARP1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL13901589 0.83 PARP1 (0.46) PARP1NPC1RAB9AALDH1A1KMO
SCHEMBL21153236 0.82 PARP1 (0.43) PARP1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9430916 0.82 ATM (0.46) PARP1DRD3SMN1; SMN2LMNAALDH1A1
SCHEMBL1417028 0.82 RAB9A (0.49) PARP1SMN1; SMN2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099367-A1 Process for preparing a leukotriene antagonist FARMAPROJECTS, S. A. (ES) 2009-04-16 US disclosed
EP-2004609-A2 PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST Farmaprojects, S.A. (ES) 2008-12-24 EP disclosed
WO-2007101841-A2 PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST FARMAPROJECTS, S. A. (ES) 2007-09-13 WO disclosed
EP-1206471-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP disclosed
WO-2001010866-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-15 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-20090099367-A1 Process for preparing a leukotriene antagonist LTC4S, LTB4R2, CYSLTR2 PARP1 2543/4885DRD3 2711/4885SMN1; SMN2 4033/4885

“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.