SCHEMBL22643882

SCHEMBL22643882

CCCc1c[nH]c2ccc(C(C)CC)cc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 10/20 0.58
▸ HTR1B P28222 6/20 0.56
▸ MPO P05164 5/20 0.46
▸ HTR1A P08908 5/20 0.46
▸ HTR2A P28223 2/20 0.44

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
SCHEMBL22643951 0.88 HTR1D (0.75) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL8507874 0.82 HTR1D (0.80) HTR1DHTR1BMPOHTR2A
SCHEMBL20077509 0.80 HTR1D (0.44) HTR1DHTR1BHTR2A
SCHEMBL23030468 0.78 HTR1D (0.43) HTR1DHTR1BHTR2A
SCHEMBL8506249 0.78 HTR1D (0.54) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL8506246 0.78 SLC6A4 (0.62) HTR1DHTR1B
SCHEMBL9210389 0.76 HTR1D (0.51) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8344495 0.76 HTR1D (0.73) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL13964396 0.76 HTR1A (0.66) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL12881234 0.75 HTR1B (0.56) HTR1DHTR1BHTR1AHTR2A

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-11091467-B2 Modulators of THR-β and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2021-08-17 — — US disclosed
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 — — 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-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR HTR1D 1537/4885HTR1B 597/4885MPO 2699/4885
US-11091467-B2 Modulators of THR-β and methods of use thereof THRB, THRA, TRHR HTR1D 1651/4885HTR1B 551/4885MPO 2916/4885

“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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