SCHEMBL5550283

SCHEMBL5550283

CCOC(=O)/C1=C/c2cc(OC)ccc2OCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA2 P00918 2/20 0.47
MAOB P27338 3/20 0.46
SHMT2 P34897 1/20 0.46
MTNR1A P48039 2/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 2/20 0.45
ALOX5 P09917 4/20 0.44
TP53 P04637 1/20 0.42
CLK1 P49759 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 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
SCHEMBL5550286 1.00 ALDH1A1 (0.50) ALDH1A1CA12CA9CA2MAOB
SCHEMBL5550241 0.93 ALDH1A1 (0.52) ALDH1A1CA12CA9CA2MAOB
SCHEMBL7382482 0.79 CA12 (0.47) ALDH1A1CA12CA9MAPTHTT
SCHEMBL20699434 0.79 CCR5 (0.43) ALOX5
SCHEMBL7388942 0.78 ALOX5 (0.43) ALDH1A1MAPTMEN1KMT2AALOX5
SCHEMBL3459772 0.78 RARB (0.45)
SCHEMBL3459770 0.78 RARB (0.45)
SCHEMBL14761354 0.78 ALDH1A1 (0.44) ALDH1A1CA12CA9CA2MAOB
SCHEMBL7698975 0.78 CA12 (0.52) ALDH1A1CA12CA9MAPTMEN1
SCHEMBL20699435 0.77 CCR5 (0.41) ALDH1A1MAPTMEN1KMT2ACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP 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 (2 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 ALDH1A1 3207/4885CA12 467/4885CA9 2506/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 ALDH1A1 3392/4885CA12 729/4885CA9 2619/4885

“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.