SCHEMBL29305293

SCHEMBL29305293

CCCCCCC1(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
EPHX2 P34913 1/20 0.36

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
SCHEMBL2351395 1.00 TSHR (0.44) TSHRTHRBEPHX2
Ammonia Solution, Strong SCHEMBL20492547 0.97 TSHR (0.42) TSHRTHRBEPHX2
SCHEMBL16411503 0.97
SCHEMBL15059086 0.97 TSHR (0.39) TSHRTHRB
Ammonia Solution, Strong SCHEMBL20492546 0.94 TSHR (0.37) TSHRTHRB
SCHEMBL1155482 0.90 TSHR (0.40) TSHRTHRB
SCHEMBL9636003 0.90 TSHR (0.40) TSHRTHRB
SCHEMBL648728 0.88
SCHEMBL648729 0.88
SCHEMBL4462199 0.87 TSHR (0.38) TSHRTHRB

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-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 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-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 TSHR 4236/4885THRB 3321/4885EPHX2 3686/4885

“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.