SCHEMBL3966038

SCHEMBL3966038

CCOC(=O)O/C1=C/C(C)CCCCCCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3966042 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1TDP1POLBGAA
SCHEMBL3966044 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1TDP1POLBGAA
SCHEMBL3861847 0.83 SLC6A3 (0.37) ALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL3861842 0.83 SLC6A3 (0.37) ALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL3861844 0.83 SLC6A3 (0.37) ALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL3673615 0.82 KMT2A (0.36) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL3870186 0.82 KMT2A (0.36) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL3673620 0.82 KMT2A (0.36) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL3673618 0.82 KMT2A (0.36) ALDH1A1POLBMAPTALOX15RECQL
SCHEMBL3673617 0.82 KMT2A (0.36) ALDH1A1POLBMAPTALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP disclosed
US-7479574-B2 Method of producing macrocyclic ketone, and intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-20 US disclosed
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-13 US disclosed
EP-1845078-A1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR Takasago International Corporation (JP) 2007-10-17 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-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof MSMO1, CYP17A1, DNMT1 ALDH1A1 171/4885L3MBTL1 2199/4885TDP1 4451/4885

“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.