SCHEMBL1367673

SCHEMBL1367673

CC(=O)OC(=O)c1ccccc1OCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTGS2 P35354 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCRTR1 O43613 1/20 0.41

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
SCHEMBL12320510 0.86 LMNA (0.56) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL18224473 0.86 HCRTR1 (0.57) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL28136228 0.82 SLC6A3 (0.57) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27537998 0.82 LMNA (0.57) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7926507 0.82 ALDH1A1 (0.51) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11201342 0.81 LMNA (0.66) KDM4ELMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7172322 0.80 HPGD (0.54) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14972 0.80 HSD17B10 (0.69) KDM4ELMNAALDH1A1HSD17B10CYP1A2
SCHEMBL2352850 0.80 HTT (0.50) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL2778 0.79 TSHR (0.52) KDM4ELMNAALDH1A1HSD17B10CYP1A2

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
EP-2331528-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2020-05-27 EP disclosed
US-8859529-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20110288054-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2011-11-24 US disclosed
EP-2331528-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Schering Corporation (US) 2011-06-15 EP disclosed
WO-2010036638-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-04-01 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-20110288054-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 KDM4E 4257/4885LMNA 792/4885ALDH1A1 1223/4885

“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.