SCHEMBL4353983

SCHEMBL4353983

Cc1ccc(O)c(/C=N/CC/N=C/c2cc(C)ccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
KDM4E B2RXH2 5/20 0.61
HTT P42858 3/20 0.61
LMNA P02545 1/20 0.61
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA2 P00918 6/20 0.55
CA12 O43570 5/20 0.55
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CA9 Q16790 4/20 0.47
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 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
SCHEMBL4353987 1.00 MAPT (0.61) MAPTKDM4EHTTLMNANPC1
SCHEMBL19393344 0.92 CA12 (0.71) MAPTKDM4EHTTLMNANPC1
SCHEMBL14354242 0.91 CA2 (0.59) MAPTKDM4EHTTLMNANPC1
SCHEMBL14354241 0.91 CA2 (0.59) MAPTKDM4EHTTLMNANPC1
SCHEMBL10061910 0.90 MAPT (0.55) MAPTKDM4EHTTLMNANPC1
SCHEMBL28243912 0.90 MAPT (0.54) MAPTKDM4EHTTLMNANPC1
Acetic Acid SCHEMBL1229395 0.89 MAPT (0.50) MAPTKDM4EHTTLMNANPC1
SCHEMBL16660367 0.88 MAPT (0.53) MAPTKDM4EHTTLMNANPC1
Acetic Acid SCHEMBL1229559 0.83 MAPT (0.48) MAPTKDM4EHTTLMNANPC1
SCHEMBL23629776 0.81 MAPT (0.53) MAPTKDM4EHTTLMNANPC1

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-10034941-B2 Iron-salen complex IHI CORPORATION (JP) 2018-07-31 US disclosed
US-9475762-B2 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2016-10-25 US disclosed
US-20160193337-A1 IRON-SALEN COMPLEX ISHIKAWA, YOSHIHIRO (JP) 2016-07-07 US disclosed
US-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES COVESTRO DEUTSCHLAND AG (DE) 2016-06-02 US disclosed
US-9284267-B2 Process for the preparation of urethanes BAYER MATERIALSCIENCE AG (DE) 2016-03-15 US disclosed
US-20090275771-A1 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2009-11-05 US disclosed
US-5281578-A Pharmaceutical gallium metal complex in mixture with carrier JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-01-25 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 (4 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-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES OGG1, SOD1, DUOX2 MAPT 1596/4885KDM4E 288/4885HTT 2418/4885
US-10034941-B2 Iron-salen complex SLC40A1, SDHB, TFRC MAPT 1228/4885KDM4E 2864/4885HTT 990/4885
US-20160193337-A1 IRON-SALEN COMPLEX SLC40A1, SDHB, TFRC MAPT 1228/4885KDM4E 2864/4885HTT 990/4885
US-20090275771-A1 Process for the preparation of urethanes OGG1, SOD1, DUOX2 MAPT 1596/4885KDM4E 288/4885HTT 2418/4885

“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.