SCHEMBL8041394

SCHEMBL8041394

CCCC(C)CNCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM1A O60341 1/20 0.37
PAOX Q6QHF9 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
DUSP3 P51452 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
SCHEMBL21348399 0.87 ALDH1A1 (0.44) TSHRCYP2D6ALDH1A1PKMCA12
SCHEMBL21120415 0.85 CARM1 (0.44) TSHRALDH1A1CA12CA1CA2
SCHEMBL21348557 0.83 ACE2 (0.37) TSHRKDM1A
SCHEMBL21348120 0.83 TSHR (0.50) TSHRCYP2D6ALDH1A1PKMCA12
SCHEMBL12448087 0.81 CA12 (0.43) TSHRCYP2D6ALDH1A1PKMCA12
SCHEMBL23183561 0.81 ANPEP (0.49) TSHRCYP2D6ALDH1A1L3MBTL1POLB
SCHEMBL19407025 0.80 KEAP1 (0.47) TSHRALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL18937945 0.79 TSHR (0.47) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL8044580 0.78 ALDH1A1 (0.45) TSHRCYP2D6ALDH1A1PKMCA12
SCHEMBL8042843 0.77 ALDH1A1 (0.52) CYP2D6ALDH1A1KDM1APAOXMAPK1

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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 TSHR 3419/4885CYP2D6 2619/4885ALDH1A1 2264/4885

“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.