SCHEMBL9956832

SCHEMBL9956832

Cc1onc(C(C)C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRIA1 P42261 1/20 0.37
GRIA3 P42263 1/20 0.37
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL10981153 0.84 ALDH1A1 (0.38) GAAALDH1A1MAPTKDM4EAGTR1
SCHEMBL11893497 0.79 ALDH1A1 (0.43) GAAALDH1A1MAPTKDM4EAGTR1
SCHEMBL9956354 0.76 CYP1A2 (0.34) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL223413 0.74 GAA (0.49) GAAALDH1A1MAPTKDM4EAGTR1
SCHEMBL4795046 0.72 GAA (0.41) GAAALDH1A1MAPTKDM4EAGTR1
SCHEMBL8303828 0.72 ALDH1A1 (0.44) GAAALDH1A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL19119186 0.72 GAA (0.47) GAAALDH1A1MAPTKDM4EAGTR1
SCHEMBL2807054 0.72 LMNA (0.54) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9075629 0.72 MAPK14 (0.33)
SCHEMBL6081229 0.71 GAA (0.40) GAAALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GAA 3648/4885ALDH1A1 2810/4885MAPT 4738/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GAA 3648/4885ALDH1A1 2810/4885MAPT 4738/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG GAA 3648/4885ALDH1A1 2810/4885MAPT 4738/4885

“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.