SCHEMBL13990445

SCHEMBL13990445

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.44
▸ RXRB P28702 2/20 0.44
▸ XDH P47989 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ TYMS P04818 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ BAD Q92934 1/20 0.37
▸ AKR1C3 P42330 4/20 0.37
▸ AKR1C2 P52895 4/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KCNMA1 Q12791 1/20 0.36
▸ TACR1 P25103 2/20 0.36
▸ EIF4E P06730 1/20 0.36
▸ RORB Q92753 2/20 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
SCHEMBL13990441 0.92 MCL1 (0.45) XDHSLC22A12MCL1BADAKR1C3
SCHEMBL13990444 0.84 GPR35 (0.41) TYMSCYSLTR1DHODH
SCHEMBL13990442 0.82 DHODH (0.48) TYMSCYSLTR1KDM4EALDH1A1HSD17B10
SCHEMBL13990443 0.81 TYMS (0.40) RXRARXRBTYMSCYSLTR1DHODH
SCHEMBL13990421 0.80 TAS2R14 (0.50) AKR1C3AKR1C2
SCHEMBL13990446 0.80 GPR35 (0.51) TYMSCYSLTR1KDM4EALDH1A1HPGD
SCHEMBL13990449 0.79 FOLH1 (0.47) RXRARXRBTYMSCYSLTR1AKR1C3
SCHEMBL13990447 0.78 DCLRE1B (0.44) TYMSCYSLTR1MCL1BADRORB
SCHEMBL13990416 0.74 MPO (0.58) AKR1C3AKR1C2ALDH1A1DHODH
SCHEMBL13990437 0.74 CYSLTR1 (0.44) CYSLTR1AKR1C3AKR1C2KDM4EALDH1A1

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 RXRA 2592/4885RXRB 2825/4885XDH 2793/4885

“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.

Send feedback