SCHEMBL20180883

SCHEMBL20180883

OCCCCCCN(CCN(CCCCCCO)Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.43
HTR1A P08908 1/20 0.41
HSPA5 P11021 1/20 0.41
CA12 O43570 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL20175934 0.87 BCHE (0.45) BCHEHTR1AHSD17B10ACHE
SCHEMBL20175944 0.85 MAPT (0.43) BCHEHTR1AHSPA5HSD17B10ACHE
SCHEMBL30589673 0.83 SMN1; SMN2 (0.49) HTR1AHSPA5CA12CA2CA9
SCHEMBL27910543 0.83 HTR1A (0.53) BCHEHTR1ATSHRACHE
SCHEMBL9395374 0.81 HSPA5 (0.54) HTR1AHSPA5CA12CA2CA9
SCHEMBL20180914 0.80 HSPA5 (0.48) HTR1AHSPA5CA12CA2CA9
SCHEMBL20175945 0.79 BCHE (0.42) BCHEHTR1AACHE
SCHEMBL10486437 0.79 HTR1A (0.56) BCHEHTR1AHSPA5TSHRACHE
SCHEMBL20175937 0.78 BCHE (0.40) BCHEHTR1AACHE
SCHEMBL15283002 0.77 HSPA5 (0.59) HTR1AHSPA5CA12CA2CA9

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-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 BCHE 1142/4885HTR1A 1408/4885HSPA5 1233/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 BCHE 1142/4885HTR1A 1408/4885HSPA5 1233/4885

“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.