SCHEMBL7045563

SCHEMBL7045563

CCCCC(CC)CC(O)CCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
USP2 O75604 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
BCL2L1 Q07817 3/20 0.36
BAK1 Q16611 3/20 0.36

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
SCHEMBL7048791 0.94 ALDH1A1 (0.48) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL28083159 0.92 ALDH1A1 (0.50) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL27621433 0.90 ALDH1A1 (0.54) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL28541340 0.88 ALDH1A1 (0.52) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL16949661 0.88 LMNA (0.50) ALDH1A1CA2CYP3A4LMNAMEN1
SCHEMBL3880859 0.87 ALDH1A1 (0.54) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL3660235 0.87 ALDH1A1 (0.58) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL28525774 0.86 ALDH1A1 (0.50) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL2060051 0.85 ALDH1A1 (0.52) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL2388866 0.85 ALDH1A1 (0.64) ALDH1A1CA2TDP1CYP3A4TSHR

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-20220242808-A1 PROCESS FOR PREPARING ALKANEDIOLS SYMRISE AG (DE) 2022-08-04 US disclosed
EP-0751183-B1 Thermo-shrinkable polyester films TOYO BOSEKI (JP) 2003-04-09 EP disclosed
EP-0271928-B1 Thermo-shrinkable polyester film TOYO BOSEKI (JP) 1997-04-16 EP disclosed
EP-0751183-A2 A polyester composition used for thermoshrinkable films Toyo Boseki Kabushiki Kaisha (JP) 1997-01-02 EP disclosed
US-4996291-A Wrapping material TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-02-26 US disclosed
EP-0271928-A2 Thermo-shrinkable polyester film Toyo Boseki Kabushiki Kaisha (JP) 1988-06-22 EP 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-20220242808-A1 PROCESS FOR PREPARING ALKANEDIOLS ADH1A, ADH1C, HSD17B12 ALDH1A1 59/4885CA2 4001/4885TDP1 2171/4885

“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.