SCHEMBL4518429

SCHEMBL4518429

COc1ccc(-c2[nH]c3ccc(Oc4c(Br)cc(OCC(=O)O)cc4Br)cc3c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTPN1 P18031 2/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1C2 P52895 1/20 0.42
NR1I2 O75469 1/20 0.41
PPARG P37231 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TUBB4A P04350 2/20 0.41

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
SCHEMBL3991551 0.87 ALOX5 (0.49) ALOX5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4528982 0.86 THRA (0.49) ALOX5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL3990206 0.81 THRA (0.48) PPARGTHRATHRB
SCHEMBL4522383 0.80 THRB (0.52) ALOX5AKR1C2PPARGTHRATHRB
SCHEMBL3990201 0.77 THRA (0.39) ALOX5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4532920 0.77 THRA (0.49) ALOX5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4518871 0.76 THRA (0.48) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3990040 0.75 THRB (0.52) THRATHRB
SCHEMBL4513504 0.75 PPARG (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3356338 0.75 ALOX5 (0.71) ALOX5MTNR1AMTNR1BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 US disclosed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA ALOX5 618/4885PTPN1 1254/4885MTNR1A 48/4885

“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.