SCHEMBL8760214

SCHEMBL8760214

COc1cc(C)cc(I)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.48
▸ ERN1 O75460 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ TUBB1 Q9H4B7 2/20 0.32
▸ HTR1A P08908 2/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL8761590 0.77 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8056786 0.77 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL17864582 0.77 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL24749663 0.77 CYP3A4 (0.50) CYP3A4TUBB1
SCHEMBL31009382 0.77 CYP3A4 (0.50) CYP3A4TUBB1
SCHEMBL19242932 0.76 ACHE (0.70) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12584694 0.74 ERN1 (0.53) ACHEERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15211177 0.74 ACHE (0.48) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3228491 0.74 ALDH1A1 (0.52) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3623027 0.74 ACHE (0.48) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 — — US disclosed
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 — — US disclosed
US-8748620-B2 — — 2014-06-10 — — US disclosed
US-8748620-B2 — — 2014-06-10 — — US disclosed
US-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-24 — — US disclosed
US-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-24 — — 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-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST THRB, TSHR, THRA ACHE 2297/4885ERN1 3359/4885ALDH1A1 1797/4885

“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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