SCHEMBL1367671

SCHEMBL1367671

CC(=O)OC(=O)c1cccc(CCl)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
HMGB1 P09429 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 3/20 0.36
IAPP P10997 2/20 0.36
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL7926505 0.81 GABRA1 (0.56) ALDH1A1TSHRHMGB1GABRA1GABRB2
SCHEMBL1879310 0.81 GABRA1 (0.43) ALDH1A1HMGB1GABRA1GABRB2LMNA
SCHEMBL7936755 0.76 KDM4E (0.58) ALDH1A1CYP3A4KDM4ENPC1RAB9A
SCHEMBL3291708 0.75 HMGB1 (0.62) ALDH1A1TSHRHMGB1LMNAKDM4E
SCHEMBL537039 0.74 ALDH1A1 (0.49) ALDH1A1TSHRHMGB1GABRA1GABRB2
SCHEMBL8731468 0.73 ALDH1A1 (0.43) ALDH1A1TSHRLMNACYP3A4KDM4E
SCHEMBL20478154 0.73 ALDH1A1 (0.47) ALDH1A1TSHRHMGB1LMNACYP3A4
SCHEMBL20481943 0.73 ALDH1A1 (0.47) ALDH1A1TSHRHMGB1GABRA1GABRB2
SCHEMBL20482006 0.73 ALDH1A1 (0.47) ALDH1A1TSHRHMGB1GABRA1GABRB2
SCHEMBL2778 0.72 TSHR (0.52) ALDH1A1TSHRHMGB1LMNACYP3A4

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 ALDH1A1 1223/4885TSHR 3544/4885HMGB1 91/4885

“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.