SCHEMBL10106391

SCHEMBL10106391

CCOC(=O)c1cccc(N(CC)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEP1B Q16820 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 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
SCHEMBL10145056 0.85 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL18387870 0.83 NSD2 (0.45) ALDH1A1LMNASMN1; SMN2CA12CA1
SCHEMBL1574716 0.83 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL15014144 0.82 LMNA (0.53) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL3236449 0.81 MAPT (0.65) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL18387846 0.81 CA1 (0.56) ALDH1A1LMNAMAPTGAANPC1
SCHEMBL32685467 0.81 MAPT (0.65) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL4926537 0.80 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL1574080 0.79 SMN1; SMN2 (0.51) CYP4F2CYP4A11ALDH1A1LMNAMAPT
SCHEMBL6445553 0.79 MAPT (0.53) CYP4F2CYP4A11ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 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 (2 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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML CYP4F2 1289/4885CYP4A11 703/4885ALDH1A1 3369/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 CYP4F2 2609/4885CYP4A11 2154/4885ALDH1A1 2036/4885

“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.