SCHEMBL18805691

SCHEMBL18805691

COc1cc(Cn2c(=O)oc3ccc(C)cc32)cc(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.80
▸ TSHR P16473 4/20 0.70
▸ HTT P42858 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ LMNA P02545 3/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ CD74 P04233 5/20 0.67
▸ KMT2A Q03164 2/20 0.66
▸ POLB P06746 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.63
▸ GAA P10253 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ MAPT P10636 1/20 0.61

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
SCHEMBL20725150 0.92 MIF (0.71) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL20725151 0.90 MIF (0.76) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL2757851 0.89 MIF (1.00) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL14898603 0.81 MIF (0.82) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL10874258 0.81 MIF (1.00) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL18805701 0.80 MIF (0.65) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL29566121 0.80 MIF (0.65) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL20725153 0.79 ALDH1A1 (0.67) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL18805678 0.79 MIF (0.79) MIFTSHRHTTSMN1; SMN2LMNA
SCHEMBL16296890 0.79 TSHR (0.80) MIFTSHRHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 — — US claimed
US-20230404980-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF UNIVERSITY HEALTH NETWORK (CA) 2023-12-21 — — US disclosed
EP-4237002-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF University Health Network (CA) 2023-09-06 — — EP disclosed
WO-2022087719-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF UNIVERSITY HEALTH NETWORK (CA) 2022-05-05 — — WO disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 — — 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-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 MIF 1/4885TSHR 2619/4885HTT 3674/4885
US-20230404980-A1 METHODS OF TREATING SPONDYLOARTHRITIS OR SYMPTOMS THEREOF MIF, SPAST, MMP12 MIF 1/4885TSHR 4177/4885HTT 3094/4885

“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.

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