SCHEMBL26414144

SCHEMBL26414144

COc1ccc(COc2ccc(Oc3c(Cl)cc(Br)cc3Cl)cc2[SH](=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 3/20 0.39
▸ THRB P10828 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ THRA P10827 1/20 0.37

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
SCHEMBL26414397 0.85 LRRK2 (0.37) CCR5MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL23663266 0.84 THRB (0.42) THRBRORCALDH1A1THRANPBWR1
SCHEMBL23663222 0.84 CCR5 (0.42) CCR5THRBRORCKDM4EALDH1A1
SCHEMBL29965344 0.81 THRB (0.40) CCR5THRBRORCKDM4EALDH1A1
SCHEMBL23663220 0.81 THRB (0.40) CCR5THRBRORCKDM4EALDH1A1
SCHEMBL23663202 0.77 GAA (0.52) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL1015213 0.75 CCR5 (0.54) CCR5KDM4EALDH1A1MAPTTDP1
SCHEMBL26401671 0.74 THRA (0.36) THRBALDH1A1POLBTHRANPBWR1
SCHEMBL23663156 0.73 NPBWR1 (0.48) THRBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30611094 0.73 GAA (0.41) CCR5KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780825-B2 Thyroid hormone receptor agonists and use thereof ECCOGENE (SHANGHAI) CO., LTD. (CN) 2023-10-10 — — 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-11780825-B2 Thyroid hormone receptor agonists and use thereof TSHR, THRA, THRB CCR5 3911/4885THRB 3/4885RORC 187/4885

“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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