SCHEMBL16368784

SCHEMBL16368784

CCC(CC)(C(=O)OC)C(=O)OCCOCCOC(=O)C(CC)(CC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.39
THRB P10828 2/20 0.37
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32
SCN5A Q14524 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
SCHEMBL29008751 0.85 HCAR2 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL17085266 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL809243 0.82 DGAT1 (0.40) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL27437792 0.82 ALDH1A1 (0.48) ALDH1A1TSHRNPSR1L3MBTL1ACHE
SCHEMBL29008744 0.80 MEN1 (0.48) ALDH1A1TSHRTHRBHSD17B10MEN1
SCHEMBL16368795 0.80 ALDH1A1 (0.36) ALDH1A1TSHRTHRBTP53HIF1A
SCHEMBL29674742 0.79 DGAT1 (0.39) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL27435100 0.79 EPHX1 (0.52) ALDH1A1TSHRLMNANPSR1ACHE
SCHEMBL4884656 0.78 HCAR2 (0.40) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL16368829 0.77 DGAT1 (0.50) ALDH1A1TSHRTHRBTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2017-04-27 US disclosed
US-20150010634-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2015-01-08 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-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS PDE6C, ALDH1A2, UACA ALDH1A1 239/4885TSHR 2660/4885THRB 2491/4885
US-20150010634-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS PDE6C, ALDH1A2, UACA ALDH1A1 239/4885TSHR 2660/4885THRB 2491/4885

“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.