SCHEMBL17085271

SCHEMBL17085271

CC(=O)C(C)(C)CCCCC(C)(C)C(=O)OCCOCCOC(=O)C(C)(C)CCCCC(C)(C)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
THRB P10828 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.32
ACLY P53396 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ELANE P08246 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
SCHEMBL17085273 0.96 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL17085275 0.92 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL16368797 0.85 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL17756696 0.84 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL17756706 0.83 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL17756704 0.83 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL17756705 0.83 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL9481795 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1TSHRTP53
SCHEMBL16368808 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1TSHRTP53
SCHEMBL17085255 0.81 ALDH1A1 (0.38) CYP4F2CYP4A11ALDH1A1TSHRTHRB

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-9855340-B2 Hydrogel prodrugs ASCENDIS PHARMA A/S (DK) 2018-01-02 US disclosed
US-20160296600-A1 Relaxin Prodrugs ASCENDIS PHARMA RELAXIN DIVISION A/S (DK) 2016-10-13 US disclosed
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs ASCENDIS PHARMA A/S (DK) 2016-03-24 US disclosed
US-20150290337-A1 DIAGNOSIS, PREVENTION AND TREATMENT OF DISEASES OF THE JOINT ASCENDIS PHARMA INC. 2015-10-15 US disclosed
US-20150258205-A1 Hydrogel Prodrugs ASCENDIS PHARMA GMBH (DE) 2015-09-17 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-20150290337-A1 DIAGNOSIS, PREVENTION AND TREATMENT OF DISEASES OF THE JOINT ADAMTS13, ADAMTS5, TNF CYP4F2 958/4885CYP4A11 570/4885ALDH1A1 712/4885
US-20160296600-A1 Relaxin Prodrugs RXFP1, RXFP2, RXFP3 CYP4F2 2259/4885CYP4A11 1376/4885ALDH1A1 3629/4885
US-20150258205-A1 Hydrogel Prodrugs CD44, DNPH1, PHYKPL CYP4F2 946/4885CYP4A11 708/4885ALDH1A1 282/4885
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs PTMS, PGLS, PAM CYP4F2 975/4885CYP4A11 1109/4885ALDH1A1 193/4885

“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.