SCHEMBL12873370

SCHEMBL12873370

CCOCCOCCOCCOCC(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.32
EPHX2 P34913 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ACACB O00763 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
SCHEMBL12873346 0.98 ALDH1A1 (0.46) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL23696048 0.91 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL22856475 0.91 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL23696339 0.91 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL13542695 0.89 MEN1 (0.37) ALDH1A1TSHRMEN1KMT2ACES2
SCHEMBL13971266 0.87 HSD17B10 (0.41) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL25703927 0.87 HSD17B10 (0.41) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL22526151 0.87 HSD17B10 (0.41) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL12974507 0.87 TSHR (0.42) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL10165857 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
US-9901636-B2 Conjugate of a photosensitiser and chitosan and uses thereof PCI BIOTECH AS (NO) 2018-02-27 US disclosed
US-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF PCI BIOTECH AS (NO) 2015-07-23 US disclosed
US-7887835-B2 for vascular lesion imaging and for diagnosing arteriosclerosis, ischemia with X-ray angiography and positron emission tomography; fluorinated steroid ester, glyceride compounds, phosphatidylcholine, and phosphatidylserine as membrane components of liposome FUJIFILM CORPORATION (JP) 2011-02-15 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 (4 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-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF TLR3, CD47, TLR9 ALDH1A1 3397/4885TSHR 4198/4885THRB 4641/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885TSHR 3319/4885THRB 1824/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885TSHR 3319/4885THRB 1824/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885TSHR 3319/4885THRB 1824/4885

“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.