SCHEMBL9960730

SCHEMBL9960730

Cn1nc(C2=CC(O)c3ccccc32)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 2/20 0.33
HPGD P15428 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKCQ Q04759 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL9960662 0.90 L3MBTL1 (0.39) TP53LMNAKDM4EALDH1A1POLB
SCHEMBL9960690 0.90 PTGS2 (0.40)
SCHEMBL9960741 0.88 GRIA2 (0.33) HPGDCSNK1A1GSK3BGRIA4GRIA2
SCHEMBL9960756 0.84 LMNA (0.33) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL9960573 0.84 ADCY10 (0.36) TP53KDM4EALDH1A1RECQLHPGD
SCHEMBL9960715 0.80 NPSR1 (0.32) KDM4EALDH1A1POLB
SCHEMBL9960851 0.79 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2POLBRECQL
SCHEMBL16144919 0.77 GRIA4 (0.39) ALDH1A1POLBGRIA4GRIA2
SCHEMBL9960681 0.76 POLB (0.30) POLB
SCHEMBL16144908 0.73 KMT2A (0.35) TP53LMNAKDM4EALDH1A1HPGD

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 20 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 claimed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US claimed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US claimed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
EP-3004036-B1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LTD (IE) 2017-11-22 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-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2016-04-21 US disclosed
EP-3004036-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF Leo Laboratories Limited (IE) 2016-04-13 EP 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-20150133543-A1 TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2015-05-14 US disclosed
WO-2014191457-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2014-12-04 WO 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 (4 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 TP53 1928/4885LMNA 3996/4885KDM4E 2642/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG TP53 1928/4885LMNA 3996/4885KDM4E 2642/4885
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF CYP51A1, ERG28, UTP20 TP53 2148/4885LMNA 4336/4885KDM4E 2549/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG TP53 1928/4885LMNA 3996/4885KDM4E 2642/4885

“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.