SCHEMBL20869320

SCHEMBL20869320

O[C@H]1CCCCC12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
SLC6A3 Q01959 3/20 0.30
SLC6A4 P31645 2/20 0.30

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
SCHEMBL22447816 1.00 TSHR (0.35) TSHRALDH1A1HSD11B1SLC6A3SLC6A4
SCHEMBL14231468 0.97 TSHR (0.37) TSHRSLC6A3SLC6A4
SCHEMBL537100 0.94 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12265272 0.94
SCHEMBL1555768 0.94
SCHEMBL10747441 0.94 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL1568533 0.92 TSHR (0.33) TSHR
SCHEMBL13762475 0.91 TSHR (0.30) TSHR
SCHEMBL22483057 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13378745 0.85

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-10800743-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2020-10-13 US disclosed
US-20190100496-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-04-04 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-10800743-B2 Arginine methyltransferase inhibitors and uses thereof PRMT1, PRMT3, PRMT5 TSHR 3035/4885ALDH1A1 686/4885HSD11B1 567/4885
US-20190100496-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 TSHR 3035/4885ALDH1A1 686/4885HSD11B1 567/4885

“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.