SCHEMBL6374646

SCHEMBL6374646

COCc1cc(Cl)c(Oc2ccc(OC)c(C=O)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.57
▸ THRB P10828 11/20 0.48
▸ RORC P51449 4/20 0.48
▸ THRA P10827 7/20 0.42
▸ ERN1 O75460 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL12312519 0.84 THRB (0.49) TUBB1THRBRORCTHRA
SCHEMBL29965444 0.83 TUBB1 (0.48) TUBB1THRBRORCTHRAERN1
SCHEMBL23663122 0.83 TUBB1 (0.48) TUBB1THRBRORCTHRAERN1
SCHEMBL7039684 0.80 TUBB1 (0.45) TUBB1THRBRORCERN1CYP1A2
SCHEMBL4961567 0.79 TLR9 (0.49) TUBB1THRBRORCERN1CYP1A2
SCHEMBL6367633 0.79 THRB (0.50) THRBRORCTHRAALDH1A1KDM4E
SCHEMBL6366915 0.77 THRB (0.49) THRBRORCTHRA
SCHEMBL31287740 0.76 TUBB1 (0.49) TUBB1ERN1CYP1A2ALDH1A1KDM4E
SCHEMBL11123319 0.74 ALDH1A1 (0.53) TUBB1ERN1CYP1A2ALDH1A1KDM4E
SCHEMBL6693303 0.73 TUBB1 (0.46) TUBB1ERN1CYP1A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960604-B2 Thyroid receptor ligands PFIZER INC. (US) 2005-11-01 — — US disclosed
US-20040110951-A1 Thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-06-10 — — US disclosed
US-6620830-B2 Certain thiazolidinedione, oxadiazolidinedione, and triazolone compounds which are thyroid receptor ligands PFIZER, INC. 2003-09-16 — — US disclosed
US-20010051645-A1 Thyroid receptor ligands CHIANG YUAN-CHING P (US) 2001-12-13 — — US disclosed
EP-1148054-A1 Thyroid receptor ligands Pfizer Products Inc. (US) 2001-10-24 — — 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-20010051645-A1 Thyroid receptor ligands TSHR, THRB, THRA TUBB1 2866/4885THRB 2/4885RORC 302/4885
US-20040110951-A1 Thyroid receptor ligands TSHR, THRB, THRA TUBB1 2866/4885THRB 2/4885RORC 302/4885

“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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