SCHEMBL9959992

SCHEMBL9959992

COc1ccc2c(c1)c(C)c(C(=O)Cl)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL9956776 0.87 KDM4E (0.52) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL11224987 0.81 MAPT (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9959683 0.79 MEN1 (0.59) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL11563280 0.77 MAPT (0.51) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12926010 0.76 MAPT (0.59) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL28208606 0.75 TAAR1 (0.48) MAPTSMN1; SMN2POLB
SCHEMBL2272636 0.75 KDM4E (0.49) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10971041 0.75 MAPT (0.54) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9959978 0.74 TSHR (0.64) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7907419 0.74 AKR1C2 (0.51) MAPTSMN1; SMN2KDM4EALDH1A1HPGD

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 MAPT 4738/4885SMN1; SMN2 4677/4885KDM4E 2642/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MAPT 4738/4885SMN1; SMN2 4677/4885KDM4E 2642/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG MAPT 4738/4885SMN1; SMN2 4677/4885KDM4E 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.