SCHEMBL9911435

SCHEMBL9911435

CC(C)OCC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.55
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL9911434 0.85 HPGD (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9911423 0.83 HPGD (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5009752 0.81 HPGD (0.68) STAT3KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9911431 0.79 AAK1 (0.58) STAT3KMT2AMEN1LMNAMAPT
SCHEMBL18204569 0.78 STAT3 (0.55) STAT3KMT2AMEN1ALDH1A1LMNA
SCHEMBL9911425 0.78 KDM4E (0.49) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL1395934 0.75 ALDH1A1 (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11953212 0.75 NPC1 (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9322209 0.74 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1LMNACA2
SCHEMBL7825475 0.74 MAPK1 (0.77) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E STAT3 4652/4885KMT2A 1509/4885MEN1 4595/4885

“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.