SCHEMBL910299

SCHEMBL910299

[CH2]C(OCCCC)(OCCCC)OCCCC.[Zr]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 5/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL537765 0.97 ADRB2 (0.41) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL5909092 0.94 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL5073591 0.90 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10646386 0.90 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL5239732 0.79
SCHEMBL27996607 0.78 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL133600 0.78
SCHEMBL128741 0.76 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL17048695 0.76 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL27705656 0.76 TSHR (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4

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-8282872-B2 (Meth)acrylate compound, curable composition using the same, curable composition for photo-nanoimprints, cured product of curable composition and method for manufacturing cured product FUJIFILM CORPORATION (JP) 2012-10-09 US disclosed
US-20110003909-A1 (METH)ACRYLATE COMPOUND, CURABLE COMPOSITION USING THE SAME, CURABLE COMPOSITION FOR PHOTO-NANOIMPRINTS, CURED PRODUCT OF CURABLE COMPOSITION AND METHOD FOR MANUFACTURING CURED PRODUCT FUJIFILM CORPORATION 2011-01-06 US disclosed
US-20100244328-A1 CURABLE COMPOSITION FOR PHOTOIMPRINT, AND METHOD FOR PRODUCING CURED PRODUCT USING SAME FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100133728-A1 CURABLE COMPOSITION FOR PHOTOIMPRINT, AND METHOD FOR PRODUCING CURED PRODUCT USING SAME FUJIFILM CORPORATION (JP) 2010-06-03 US disclosed
US-20100121013-A1 CURABLE COMPOSITION FOR PHOTOIMPRINT, ITS CURED PRODUCT AND PRODUCTION METHOD FOR IT, AND COMPONENT OF LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-05-13 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 (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-20100121013-A1 CURABLE COMPOSITION FOR PHOTOIMPRINT, ITS CURED PRODUCT AND PRODUCTION METHOD FOR IT, AND COMPONENT OF LIQUID-CRYSTAL DISPLAY DEVICE MBTD1, CRY1, CCNT1 ADRB2 4556/4885ADRB1 4134/4885ADRB3 4718/4885
US-20110003909-A1 (METH)ACRYLATE COMPOUND, CURABLE COMPOSITION USING THE SAME, CURABLE COMPOSITION FOR PHOTO-NANOIMPRINTS, CURED PRODUCT OF CURABLE COMPOSITION AND METHOD FOR MANUFACTURING CURED PRODUCT DNMT3A, DOT1L, PDE6D ADRB2 4202/4885ADRB1 3620/4885ADRB3 4322/4885

“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.