SCHEMBL16115772

SCHEMBL16115772

[CH2]CCCOCCCCOCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.34
CES2 O00748 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CES1 P23141 1/20 0.30

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
SCHEMBL19010 0.97
SCHEMBL23674271 0.94 TSHR (0.40) HTTMEN1THRBKMT2AMAPT
SCHEMBL16115806 0.94 HTT (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL95567 0.94 TSHR (0.40) HTTMEN1THRBKMT2AMAPT
SCHEMBL106912 0.94
SCHEMBL816920 0.92 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL815251 0.92 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL815516 0.92 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL817953 0.92 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL817408 0.92 HTT (0.44) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978427-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR INT AG (CH) 2018-08-08 EP disclosed
US-9546234-B2 Metal fine particle dispersant, metal fine particle dispersion liquid, and cured film HARIMA CHEMICALS, INCORPORATED (JP) 2017-01-17 US disclosed
EP-2978427-A1 FE(III) COMPLEXES FOR TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS Vifor (International) AG (CH) 2016-02-03 EP disclosed
US-9248134-B1 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-02-02 US disclosed
US-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-01-21 US disclosed
US-20160002379-A1 METAL FINE PARTICLE DISPERSANT, METAL FINE PARTICLE DISPERSION LIQUID, AND CURED FILM HARIMA CHEMICALS, INCORPORATED (JP) 2016-01-07 US disclosed
EP-2962750-A1 FINE METAL PARTICLE DISPERSANT, FINE METAL PARTICLE DISPERSED LIQUID, AND CURED FILM Harima Chemicals, Inc. (JP) 2016-01-06 EP disclosed
WO-2014154797-A1 FE(III) COMPLEXES FOR TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS VIFOR (INTERNATIONAL) AG (CH) 2014-10-02 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-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 HTT 1795/4885MEN1 991/4885THRB 2329/4885

“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.