SCHEMBL12733551

SCHEMBL12733551

CCOCCOCCNC(=O)COCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL11928874 1.00 ALDH1A1 (0.41) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL13113388 0.97 CES2 (0.42) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL13014736 0.96 ALDH1A1 (0.43) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL72044 0.93 CES2 (0.42) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL13154532 0.90 CES2 (0.42) ALDH1A1TSHRMEN1KMT2AEPHX2
SCHEMBL23518687 0.89 MEN1 (0.46) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL25516086 0.89 MEN1 (0.46) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL25028599 0.89 ALDH1A1 (0.39) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL15335399 0.88 MEN1 (0.45) ALDH1A1TSHRMEN1KMT2ACES2
SCHEMBL11928871 0.88 MEN1 (0.42) ALDH1A1TSHRMEN1KMT2ACES2

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-9150633-B2 Insulin analogues with an acyl and alkylene glycol moiety NOVO NORDISK A/S (DK) 2015-10-06 — — US disclosed
US-8444955-B2 Radiofluorination methods GE HEALTHCARE LIMITED (GB) 2013-05-21 — — US disclosed
US-20110098440-A1 Insulin Analogues with an Acyl and Alkylene Glycol Moiety NOVO NORDISK A/S (DK) 2011-04-28 — — US disclosed
US-20100196270-A1 RADIOFLUORINATION METHODS GE HEALTHCARE AS (NO) 2010-08-05 — — US disclosed
US-7591994-B2 Improved targetting IMMUNOMEDICS, INC. (US) 2009-09-22 — — 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 (2 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-20110098440-A1 Insulin Analogues with an Acyl and Alkylene Glycol Moiety IAPP, INSR, IGF1R ALDH1A1 4291/4885TSHR 372/4885THRB 438/4885
US-20100196270-A1 RADIOFLUORINATION METHODS CYP2F1, CYP4F2, CYP4F3 ALDH1A1 534/4885TSHR 132/4885THRB 886/4885

“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.

Send feedback