SCHEMBL3472426

SCHEMBL3472426

O=C(O)CCCC(=O)OC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CYP1A2 P05177 3/20 0.36
LMNA P02545 7/20 0.36
MAPK1 P28482 4/20 0.36
GMNN O75496 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
HSP90AA1 P07900 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
TP53 P04637 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
SCHEMBL3749621 0.78 TSHR (0.45) TSHRSLC22A6MMP1MMP2MMP3
SCHEMBL15864631 0.76 TSHR (0.47) TDP1TSHRSLC22A6CYP1A2LMNA
SCHEMBL1289946 0.75 TDP1 (0.45) TDP1TSHRSLC22A6MMP1MMP2
SCHEMBL3472423 0.75 TDP1 (0.45) TDP1MMP1MMP2MMP3MMP9
SCHEMBL1864892 0.74 LMNA (0.42) TSHRSLC22A6MMP1MMP2MMP3
Adipic Acid SCHEMBL8022842 0.74 TDP1 (0.74) TDP1TSHRSLC22A6LMNAMEN1
SCHEMBL9616895 0.73 TDP1 (0.52) TDP1TSHRSLC22A6MMP1MMP2
SCHEMBL8127304 0.73 TDP1 (0.52) TDP1TSHRSLC22A6MMP1MMP2
SCHEMBL68486 0.72 LMNA (0.45) TSHRSLC22A6MMP1MMP2MMP3
Octanedioate SCHEMBL21048736 0.72 TDP1 (0.70) TDP1TSHRSLC22A6LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177548-A1 Methods and Compositions for Treating Melanoma WISTAR INST (US) 2022-06-09 US disclosed
US-11208468-B2 Methods and compositions for treating melanoma THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2021-12-28 US disclosed
US-20190276517-A1 Methods and Compositions for Treating Melanoma THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2019-09-12 US disclosed
US-7811993-B2 Methods and compositions for treating melanoma THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2010-10-12 US disclosed
US-20100203109-A1 Methods and Compositions for Treating Melanoma THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2010-08-12 US disclosed
US-7189691-B2 Methods and compositions for treating leukemia THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2007-03-13 US disclosed
WO-2007002811-A2 METHODS AND COMPOSITIONS FOR TREATING MELANOMA THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2007-01-04 WO disclosed
US-20050222012-A1 Methods and compositions for treating leukemia THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2005-10-06 US disclosed
US-20030064918-A1 Compounds and uses thereof in treating bone disorders AUCKLAND UNISERVICES LIMITED, NEW ZEALAND CORPORATION 2003-04-03 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-20030064918-A1 Compounds and uses thereof in treating bone disorders BMP2, SOST, BMP6 TDP1 4369/4885TSHR 3087/4885SLC22A6 2055/4885

“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.