SCHEMBL18023085

SCHEMBL18023085

CC(O)CCCOC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18023105 1.00 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EKMT2ATSHR
SCHEMBL25489245 0.92 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EKMT2ATSHR
SCHEMBL172842 0.84 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EKMT2ATSHR
SCHEMBL7603965 0.83
SCHEMBL7937886 0.83
SCHEMBL2947395 0.83
SCHEMBL28597058 0.80 TDP1 (0.33) ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11444872 0.80 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EKMT2ATSHR
SCHEMBL128395 0.78 LMNA (0.41) ALDH1A1LMNAKDM4ETSHRL3MBTL1
SCHEMBL8863084 0.78 HSD17B10 (0.40) ALDH1A1KMT2ATSHRMAPTHSD17B10

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-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
EP-2429568-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-08-17 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-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 ALDH1A1 1652/4885LMNA 344/4885KDM4E 59/4885

“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.