SCHEMBL5116386

SCHEMBL5116386

O=[N+]([O-])c1cccc(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CCR1 P32246 1/20 0.38
POLB P06746 2/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 3/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ERN1 O75460 1/20 0.33
ALOX15 P16050 1/20 0.33
MGMT P16455 1/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL433554 0.80 MEN1 (0.39) LMNATDP1F2PLAUKLKB1
SCHEMBL3294386 0.79 TSHR (0.46) LMNAGPR35MAPTTSHRALDH1A1
SCHEMBL7697012 0.77 PDE4A (0.42) LMNAPOLBMAPTTSHRALDH1A1
SCHEMBL3865531 0.74 GPR35 (0.45) LMNAPOLBGPR35MAPTTSHR
SCHEMBL486201 0.73 CCR1 (0.55) CCR1TSHRPGK1PGK2HSD11B1
SCHEMBL29016910 0.73 LMNA (0.41) LMNAPOLBMAPTALDH1A1MGMT
SCHEMBL3144065 0.73 LMNA (0.41) LMNACCR1GPR35MAPTTSHR
SCHEMBL29016966 0.72 LMNA (0.40) LMNAMAPTALDH1A1MGMT
SCHEMBL28111002 0.71 CCR1 (0.52) CCR1TSHRPGK1PGK2HSD11B1
SCHEMBL435163 0.71 STAT3 (0.38) LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261561-A Certain chemical compositions and methods of use thereof 奧基生物技术有限公司 2023-06-13 CN disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 LMNA 4168/4885CCR1 2815/4885POLB 1419/4885

“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.