SCHEMBL18459115

SCHEMBL18459115

COc1ccc(OC)c2sc(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
APP P05067 3/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
AMY1A P0DUB6 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
GUSB P08236 1/20 0.44
F2RL3 Q96RI0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18416913 0.91 RAB9A (0.48) RAB9AAPPMMP2MMP9MMP8
SCHEMBL27451085 0.86 RAB9A (0.44) RAB9AAPPMMP2MMP9MMP8
SCHEMBL12422442 0.83 APP (0.58) RAB9AAPPMMP2MMP9MMP8
SCHEMBL11972842 0.81 APP (0.59) RAB9AAPPMMP2MMP9MMP8
SCHEMBL19757222 0.79 RAB9A (0.47) RAB9AAPPMMP2MMP9MMP8
SCHEMBL15703586 0.78 PDGFRB (0.50) RAB9AAPPMMP2MMP9MMP8
SCHEMBL8392873 0.78 APP (0.49) RAB9AAPPMMP2MMP9MMP8
SCHEMBL23485460 0.78 ALDH1A1 (0.51) RAB9AAPPMMP9MMP8TNKS
SCHEMBL13806223 0.78 ALDH1A1 (0.51) RAB9AAPPTNKSTNKS2PARP2
SCHEMBL8510911 0.77 ALDH1A1 (0.54) ALDH1A1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-02-02 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-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC RAB9A 3678/4885APP 1261/4885MMP2 2977/4885

“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.