SCHEMBL20125930

SCHEMBL20125930

C=CC(=O)N(CC)CC(=O)OCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CYP19A1 P11511 1/20 0.36
PSMB5 P28074 3/20 0.35
TSHR P16473 2/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.32
SLC22A1 O15245 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 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
SCHEMBL20125902 0.84 TSHR (0.49) TDP1PSMB5TSHRZDHHC20ZDHHC2
SCHEMBL20125901 0.84 TSHR (0.38) PSMB5TSHRZDHHC20HPGDZDHHC2
SCHEMBL20128242 0.81 TSHR (0.51) TSHRZDHHC20HPGDLMNAZDHHC2
SCHEMBL13411271 0.80 CA12 (0.42) PSMB5TSHRZDHHC20CA12CA1
SCHEMBL23420159 0.79 NAAA (0.50) TSHRZDHHC20HPGDZDHHC2ALDH1A1
SCHEMBL20125983 0.79 NAAA (0.50) TSHRZDHHC20HPGDZDHHC2ALDH1A1
SCHEMBL20125938 0.78 PSMB5 (0.38) PSMB5TSHRZDHHC20HPGDLMNA
SCHEMBL20125837 0.76 ZDHHC20 (0.37) TDP1PSMB5TSHRZDHHC20HPGD
SCHEMBL22420161 0.75 ZDHHC20 (0.39) TDP1PSMB5TSHRZDHHC20CA12
SCHEMBL20125900 0.75 PSMB5 (0.40) PSMB5TSHRZDHHC20LMNAZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127607-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND RICOH COMPANY, LTD. (JP) 2018-05-10 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-20180127607-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND CRYAA, CDKN1A, ACR TDP1 1903/4885CYP19A1 1545/4885PSMB5 908/4885

“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.