SCHEMBL1709134

SCHEMBL1709134

Cc1cc(OCc2ccccc2)cc(N=O)c1NC(=O)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
F10 P00742 2/20 0.42
BRD4 O60885 3/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
PIP5K1C O60331 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
RORC P51449 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1286092 0.83 MAPT (0.48) PTGER1SIRT2F10BRD4S1PR1
SCHEMBL8408804 0.74 F10 (0.53) F10
SCHEMBL23795593 0.74 MAPK8 (0.60) PTGER1F10MAPK14MAPK8MAPK10
SCHEMBL19857113 0.72 MEN1 (0.55) ALDH1A1MAPTNPC1PKMRAB9A
SCHEMBL7808144 0.70 HPGD (0.64) BRD4ALDH1A1NPC1RAB9AMRGPRX4
SCHEMBL13162342 0.68 BRD4 (0.57) BRD4ALDH1A1NPC1RAB9A
SCHEMBL8953741 0.67 KMT2A (0.50) ALDH1A1RORC
SCHEMBL9808046 0.67 MRGPRX4 (0.52) ALDH1A1NPC1RAB9AMRGPRX4
SCHEMBL21051406 0.67 NR4A1 (0.57) S1PR5ALDH1A1MAPT
SCHEMBL28749555 0.67 ELANE (0.50) S1PR5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 PTGER1 938/4885SIRT2 4091/4885F10 94/4885

“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.