SCHEMBL2604673

SCHEMBL2604673

C=CC(=O)Oc1ccc2c(c1)C(CC)c1cc(OC(=O)C=C)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.49
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
THRA P10827 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TGM2 P21980 1/20 0.33
ACHE P22303 3/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A4 P31645 1/20 0.32
EGFR P00533 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL2122679 0.83 THRB (0.45) THRBHPGDTSHRTHRATGM2
SCHEMBL14088490 0.82 KMT2A (0.36) THRBHPGDTSHRLMNA
SCHEMBL2604672 0.81 ELANE (0.43) TSHRESR1ESR2ACHE
SCHEMBL5961822 0.80 KMT2A (0.34) THRBHPGDTSHRLMNAL3MBTL1
SCHEMBL2606299 0.80 THRB (0.41) THRBHPGDTSHRTHRALMNA
SCHEMBL14088468 0.79 THRB (0.44) THRBHPGDTSHRESR1ESR2
SCHEMBL14088473 0.78 THRB (0.43) THRBHPGDTSHR
SCHEMBL2604705 0.74 THRB (0.45) THRBLMNAPTGS1
SCHEMBL11253852 0.74 THRB (0.45) THRBHPGDTSHRESR1ESR2
SCHEMBL11225929 0.73 THRB (0.47) THRBHPGDTHRATGM2EGFR

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-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 THRB 4883/4885HPGD 1341/4885TSHR 4831/4885

“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.