SCHEMBL4018291

SCHEMBL4018291

CCOC(=O)c1cc(-c2ccc(C3OCCO3)cc2)on1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACR P10323 2/20 0.52
POLB P06746 2/20 0.48
MAPT P10636 8/20 0.46
TP53 P04637 5/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL29197994 0.82 ACR (0.60) ACRPOLBMAPTTP53LMNA
SCHEMBL4020118 0.80 ALDH1A1 (0.60) MAPTLMNAHPGDNPC1RAB9A
SCHEMBL1686347 0.79 POLB (0.66) ACRPOLBMAPTTP53HPGD
SCHEMBL27237216 0.79 ACR (0.58) ACRPOLBMAPTTP53LMNA
SCHEMBL1686476 0.79 MAPT (0.72) ACRPOLBMAPTTP53LMNA
SCHEMBL1686391 0.79 TP53 (0.62) ACRPOLBMAPTTP53LMNA
SCHEMBL768649 0.79 ACR (0.63) ACRMAPTTP53LMNAHPGD
SCHEMBL13361728 0.78 ACR (0.57) ACRPOLBMAPTTP53LMNA
SCHEMBL15468398 0.78 MAPT (0.68) ACRMAPTTP53HPGDNPC1
SCHEMBL21523600 0.78 ACR (0.56) ACRPOLBMAPTTP53LMNA

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
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ACR 4545/4885POLB 1544/4885MAPT 3755/4885

“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.