SCHEMBL9957129

SCHEMBL9957129

CCc1coc(CC)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 1/20 0.34
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NQO1 P15559 2/20 0.33
POR P16435 2/20 0.33
METAP2 P50579 1/20 0.31
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 0.31
KAT8 Q9H7Z6 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL16414569 0.83 CA12 (0.39) POLBTDP1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL16144903 0.82 NQO1 (0.32) POLBTDP1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL19020043 0.79 CYP1A2 (0.39) POLBTDP1L3MBTL1PTPN1PTPN11
SCHEMBL8654071 0.76 FOLH1 (0.41) POLBL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL16433085 0.76 PTPN1 (0.40) PTPN1PTPN11MAPTMETAP2BID
SCHEMBL9860433 0.75 SMN1; SMN2 (0.32) PTPN1PTPN11SMN1; SMN2ALOX15MAPT
SCHEMBL17866890 0.73 BID (0.38) PTPN1PTPN11ALDH1A1METAP2BID
SCHEMBL17867211 0.72 KAT8 (0.43) ALOX15MAPTBIDMCL1BCL2L1
SCHEMBL17867056 0.71 MAPT (0.32) MAPTALDH1A1
SCHEMBL20550358 0.71 ALDH1A1 (0.41) POLBSMN1; SMN2MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN disclosed
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN 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 (1 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-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG POLB 3773/4885TDP1 4714/4885L3MBTL1 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.