SCHEMBL9959978

SCHEMBL9959978

Cc1c(C(=O)Cl)n(C)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
KDM4E B2RXH2 7/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GPR3 P46089 1/20 0.47
ALDH1A1 P00352 7/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
GLA P06280 2/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NQO2 P16083 1/20 0.43
PABPC1 P11940 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
SCHEMBL27570089 0.86 TSHR (0.51) TSHRKDM4EL3MBTL1GPR3ALDH1A1
SCHEMBL30639179 0.84 KDM4E (0.67) TSHRKDM4EL3MBTL1GPR3ALDH1A1
SCHEMBL17484805 0.84 TSHR (0.66) TSHRKDM4EL3MBTL1GPR3ALDH1A1
SCHEMBL1092586 0.84 KDM4E (0.67) TSHRKDM4EL3MBTL1GPR3ALDH1A1
SCHEMBL6595214 0.82 TSHR (0.64) TSHRKDM4EL3MBTL1GPR3ALDH1A1
SCHEMBL35212204 0.82 TSHR (0.64) TSHRKDM4EL3MBTL1GPR3ALDH1A1
Potassium Ion SCHEMBL11790616 0.82 TSHR (0.64) TSHRKDM4EL3MBTL1GPR3ALDH1A1
Hydrochloric Acid SCHEMBL28262758 0.81 TSHR (0.62) TSHRKDM4EL3MBTL1GPR3ALDH1A1
SCHEMBL11224987 0.79 MAPT (0.43) TSHRKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL8568557 0.79 TSHR (0.60) TSHRKDM4EL3MBTL1GPR3ALDH1A1

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 11 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
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN 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
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN 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 TSHR 647/4885KDM4E 2642/4885L3MBTL1 3703/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG TSHR 647/4885KDM4E 2642/4885L3MBTL1 3703/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG TSHR 647/4885KDM4E 2642/4885L3MBTL1 3703/4885

“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.