SCHEMBL13990441

SCHEMBL13990441

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.45
▸ BAD Q92934 3/20 0.45
▸ RORC P51449 3/20 0.44
▸ RORB Q92753 3/20 0.44
▸ AKR1C3 P42330 3/20 0.42
▸ AKR1C2 P52895 3/20 0.42
▸ BCL2L1 Q07817 2/20 0.42
▸ XDH P47989 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ IP6K1 Q92551 1/20 0.41
▸ IP6K3 Q96PC2 1/20 0.41
▸ IP6K2 Q9UHH9 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ MPL P40238 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40

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
SCHEMBL13990445 0.92 RXRA (0.44) MCL1BADRORCRORBAKR1C3
SCHEMBL13990446 0.84 GPR35 (0.51) KDM4EALDH1A1KMOTRPM2
SCHEMBL13990442 0.83 DHODH (0.48) ALOX15KDM4EALDH1A1PTPN2PTPN1
SCHEMBL13990449 0.83 FOLH1 (0.47) AKR1C3AKR1C2KDM4EALDH1A1KMO
SCHEMBL13990447 0.81 DCLRE1B (0.44) MCL1BADRORBBCL2L1ALOX15
SCHEMBL13990444 0.80 GPR35 (0.41) PTPN2PTPN1
SCHEMBL13990416 0.78 MPO (0.58) AKR1C3AKR1C2ALDH1A1
SCHEMBL13990437 0.78 CYSLTR1 (0.44) AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL13990443 0.78 TYMS (0.40) PTPN2PTPN1PTPN22
SCHEMBL2149269 0.77 CYP1A1 (0.65) ALOX15KDM4EALDH1A1SLC9A1

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-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US disclosed
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — 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-20080319175-A1 Transthyretin Stabilization TTR, TTPA, ALB MCL1 2542/4885BAD 3383/4885RORC 3279/4885

“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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