SCHEMBL17830008

SCHEMBL17830008

CC1(C)OCC(COC(=O)c2ccc(C(=O)OCCO)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
CA2 P00918 1/20 0.42
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 3/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9739143 0.87 HTR7 (0.48) HTR7CA2HPGDALDH1A1MEN1
SCHEMBL23986033 0.86 LMNA (0.48) HTR7CA2HPGDALDH1A1POLB
SCHEMBL6933031 0.85 ALDH1A1 (0.52) HTR7CA2ALDH1A1POLBTMEM97
SCHEMBL9098184 0.85 ALDH1A1 (0.52) HTR7CA2ALDH1A1POLBTMEM97
SCHEMBL2493185 0.85 ALDH1A1 (0.52) HTR7CA2ALDH1A1POLBTMEM97
SCHEMBL2140747 0.84 HTR7 (0.46) HTR7CA2HPGDALDH1A1NPC1
SCHEMBL19136746 0.84 KMT2A (0.49) HTR7ALDH1A1POLBTMEM97SIGMAR1
SCHEMBL15542776 0.84 HTR7 (0.46) HTR7CA2HPGDALDH1A1POLB
SCHEMBL19321859 0.82 HTR7 (0.56) HTR7CA2HPGDALDH1A1TMEM97
SCHEMBL11684157 0.82 HTR7 (0.51) HTR7CA2ALDH1A1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168315-A1 MODIFIED OLIGOESTERS AND MANUFACTURE METHODS OF THE OLIGOESTERS ANHIDRIDOS Y DERIVADOS DE COLOMBIA S.A. ANDERCOL (CO) 2016-06-16 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 (1 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-20160168315-A1 MODIFIED OLIGOESTERS AND MANUFACTURE METHODS OF THE OLIGOESTERS OSTC, OSGEP, PUF60 HTR7 3275/4885CA2 3154/4885HPGD 1210/4885

“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.