SCHEMBL278799

SCHEMBL278799

CCCCOCC(COCCCC)(COCCCC)COCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CES1 P23141 1/20 0.45
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CES2 O00748 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 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
SCHEMBL18378988 0.97 TSHR (0.46) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL19792791 0.95 TSHR (0.50) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL17775385 0.95 CES1 (0.52) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL278793 0.92 TSHR (0.42) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL278852 0.92 TSHR (0.42) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL278935 0.92 TSHR (0.42) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL4875783 0.89 CES1 (0.57) TSHRCES1THRBMEN1HTT
SCHEMBL665387 0.89 TSHR (0.44) TSHRCES1ADRB2ADRB1ADRB3
SCHEMBL11149666 0.89 CES1 (0.57) TSHRCES1THRBMEN1HTT
SCHEMBL10172485 0.89 TSHR (0.44) TSHRCES1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114245-A1 DISPERSION COMPOSITION, CURABLE COMPOSITION USING THE SAME, TRANSPARENT FILM, MICROLENS AND SOLID-STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-9517278-B2 Compound and photoacoustic imaging contrast medium containing the compound CANON KABUSHIKI KAISHA (JP) 2016-12-13 US disclosed
US-9359392-B2 Dendrimer scaffolds for pharmaceutical use VICTORIA LINK LIMITED (NZ) 2016-06-07 US disclosed
US-20160145287-A2 Dendrimer Scaffolds for Pharmaceutical Use VICTORIA LINK LIMITED (NZ) 2016-05-26 US disclosed
US-20150225439-A1 Dendrimer Scaffolds for Pharmaceutical Use VICTORIA LINK LTD (NZ) 2015-08-13 US disclosed
US-20150165071-A1 COMPOUND AND PHOTOACOUSTIC IMAGING CONTRAST MEDIUM CONTAINING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-06-18 US disclosed
US-8133707-B2 Methods of preparing activated polymers having alpha nitrogen groups ENZON PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20070166808-A1 Methods of preparing activated polymers having alpha nitrogen groups BELROSE PHARMA INC. 2007-07-19 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 (3 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-20150225439-A1 Dendrimer Scaffolds for Pharmaceutical Use CD38, ADCYAP1R1, PIGO TSHR 4706/4885CES1 3230/4885ADRB2 1581/4885
US-20160145287-A2 Dendrimer Scaffolds for Pharmaceutical Use CD38, ADCYAP1R1, PIGO TSHR 4706/4885CES1 3230/4885ADRB2 1581/4885
US-20150165071-A1 COMPOUND AND PHOTOACOUSTIC IMAGING CONTRAST MEDIUM CONTAINING THE COMPOUND CLTB, PAM, CLTA TSHR 4220/4885CES1 3750/4885ADRB2 2727/4885

“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.