SCHEMBL7041799

SCHEMBL7041799

COc1ccc(Oc2c(C)cc(C#N)cc2C)cc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.50
RORC P51449 3/20 0.50
AR P10275 5/20 0.45
THRA P10827 6/20 0.41
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7036869 0.84 THRB (0.51) THRBRORCTHRACYP2D6
SCHEMBL282365 0.83 THRB (0.53) THRBRORCTHRA
SCHEMBL282017 0.82 THRB (0.53) THRBRORCTHRACYP2D6
SCHEMBL282179 0.82 THRB (0.56) THRBRORCTHRA
Hydrochloric Acid SCHEMBL8800518 0.81 THRB (0.52) THRBRORCTHRACYP2D6
SCHEMBL282127 0.80 THRB (0.57) THRBRORCTHRA
SCHEMBL8800898 0.80 THRB (0.51) THRBRORCTHRACYP2D6
SCHEMBL282819 0.78 THRB (0.74) THRBRORCTHRA
SCHEMBL282532 0.78 THRB (0.50) THRBRORCTHRACYP2D6
SCHEMBL282394 0.78 THRB (0.50) THRBRORCTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040535-A1 Tetrazole compounds as thyroid receptor ligands ASPNES GARY E (US) 2003-02-27 US disclosed
US-6441015-B2 OBESITY, ANTIDIABETIC AGENTS, CARDIOVASCULAR DISORDERS PFIZER INC. 2002-08-27 US disclosed
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands PFIZER INC. 2002-01-17 US disclosed
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 EP 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-20030040535-A1 Tetrazole compounds as thyroid receptor ligands THRA, TSHR, THRB THRB 3/4885RORC 408/4885AR 771/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885RORC 347/4885AR 696/4885

“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.