SCHEMBL17664682

SCHEMBL17664682

CC(=O)/C=C(C)\C=C(/C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 3/20 0.31
GAA P10253 1/20 0.31
HSD11B2 P80365 1/20 0.31
EPHX1 P07099 1/20 0.31
NAAA Q02083 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9609535 0.89 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11871555 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11871558 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
Cicrotoic Acid SCHEMBL2773334 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL28205563 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
Cicrotoic Acid SCHEMBL2773332 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
Cicrotoic Acid SCHEMBL1642993 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8038776 0.77 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8034602 0.77 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8034597 0.77 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3864966-A1 ORAL COMPOSITIONS COMPRISING ALLULOSE CRYSTALS Savanna Ingredients GmbH (DE) 2021-08-18 EP disclosed
US-9545413-B2 Methods of forming ciclopirox or derivatives thereof in a subject by administration of prodrug UNIVERSITY OF KANSAS (US) 2017-01-17 US disclosed
US-20160095870-A1 METHODS OF FORMING CYCLOPIROX OR DERIVATIVES THEREOF IN A SUBJECT BY ADMINISTRATION OF PRODRUG UNIV KANSAS (US) 2016-04-07 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-20160095870-A1 METHODS OF FORMING CYCLOPIROX OR DERIVATIVES THEREOF IN A SUBJECT BY ADMINISTRATION OF PRODRUG MCL1, MALT1, DPM1 CES2 736/4885CES1 574/4885HDAC8 1589/4885

“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.