SCHEMBL9955571

SCHEMBL9955571

COc1ccc(-c2cnn(C)c2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MAPKAPK2 P49137 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAP4K4 O95819 1/20 0.45
KDM4E B2RXH2 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CHEK1 O14757 1/20 0.44
GFER P55789 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDR P35968 1/20 0.43
GRIA2 P42262 1/20 0.42

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
SCHEMBL9957150 0.87 MAPKAPK2 (0.45) SMN1; SMN2MAPKAPK2KDM4EGFERMEN1
SCHEMBL9955454 0.82 LPAR1 (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL1777658 0.81 LPAR1 (0.42) SMN1; SMN2ALDH1A1MAP4K4KDM4EMEN1
SCHEMBL9956226 0.78 PTGS2 (0.58) ALDH1A1KDM4EMEN1KMT2AKDR
SCHEMBL16003447 0.76 PDE10A (0.52) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4333963 0.76 KDM4E (0.58) SMN1; SMN2ALDH1A1KDM4EEGLN1CHEK1
SCHEMBL12926053 0.76 CYP11B2 (0.58) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL27926208 0.75 LPAR1 (0.36) SMN1; SMN2
SCHEMBL9956557 0.75 PLK4 (0.44) KDR
SCHEMBL22256617 0.75 KMT2A (0.49) SMN1; SMN2MAPKAPK2MEN1KMT2AMAPT

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 10 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
EP-2858629-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE Leo Laboratories Limited (IE) 2015-04-15 EP disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
WO-2013182688-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2013-12-12 WO 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 SMN1; SMN2 4677/4885MAPKAPK2 3780/4885ALDH1A1 2810/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SMN1; SMN2 4677/4885MAPKAPK2 3780/4885ALDH1A1 2810/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SMN1; SMN2 4677/4885MAPKAPK2 3780/4885ALDH1A1 2810/4885

“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.