SCHEMBL4213025

SCHEMBL4213025

COCOc1ccc(Cc2c(C)cc(CO)cc2C)cc1Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.35
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TRPC5 Q9UL62 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PTPN1 P18031 1/20 0.32
PKM P14618 1/20 0.32
IL6 P05231 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3155899 0.89 OPRK1 (0.39) PTGER1THRATHRBPTGS1PTGS2
SCHEMBL4206031 0.88 PTGER1 (0.35) PTGER1THRATHRBPTGS1PTGS2
SCHEMBL4961897 0.87 PTGER1 (0.33) PTGER1THRATHRBALDH1A1PKM
SCHEMBL3158226 0.85 PPARA (0.41) PTGER1THRATHRBALDH1A1GAA
SCHEMBL4962699 0.85 THRA (0.39) PTGER1THRATHRBALDH1A1PTPN1
SCHEMBL3149305 0.84 ATM (0.40) PTGER1THRATHRBRAB9AALDH1A1
SCHEMBL4962703 0.84 PTGS1 (0.34) PTGER1THRATHRBPTGS1PTGS2
SCHEMBL3147512 0.82 THRA (0.37) PTGER1THRATHRBPTGS1PTGS2
SCHEMBL4201344 0.81 THRA (0.36) PTGER1THRATHRBOPRK1OPRM1
SCHEMBL3149132 0.81 THRB (0.34) PTGER1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO 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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE PTGER1 944/4885THRA 14/4885THRB 41/4885

“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.