SCHEMBL16152288

SCHEMBL16152288

Cc1cccc2c3c(ccc12)-c1occ(CO)c1C(=O)C3=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.73
HIF1A Q16665 4/20 0.73
EPAS1 Q99814 4/20 0.73
CES2 O00748 3/20 0.73
MAPT P10636 3/20 0.73
CES1 P23141 3/20 0.73
PTPN6 P29350 3/20 0.73
PTPN11 Q06124 3/20 0.73
EED O75530 3/20 0.73
SUZ12 Q15022 3/20 0.73
EZH2 Q15910 3/20 0.73
KDM1A O60341 2/20 0.73
BLM P54132 2/20 0.73
POLB P06746 2/20 0.73
NSD1 Q96L73 2/20 0.73
HDAC6 Q9UBN7 1/20 0.73
IDO1 P14902 9/20 0.53
TDO2 P48775 8/20 0.53
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL29520853 1.00 TDP1 (0.73) TDP1HIF1AEPAS1CES2MAPT
Tanshinone I SCHEMBL14993883 0.85 TDP1 (1.00) TDP1HIF1AEPAS1CES2MAPT
Tanshinone I SCHEMBL244391 0.85 TDP1 (1.00) TDP1HIF1AEPAS1CES2MAPT
SCHEMBL30381335 0.84 EED (0.73) TDP1HIF1AEPAS1CES2MAPT
Tanshinone I SCHEMBL2564448 0.83 TDP1 (0.97) TDP1HIF1AEPAS1CES2MAPT
SCHEMBL17468347 0.81 TDP1 (0.71) TDP1HIF1AEPAS1CES2MAPT
Tanshinone I SCHEMBL3664228 0.80 TDP1 (0.89) TDP1HIF1AEPAS1CES2MAPT
SCHEMBL16152281 0.78 TDP1 (0.56) TDP1HIF1AEPAS1CES2MAPT
Isotanshinone Ii SCHEMBL30035659 0.75 HIF1A (0.81) TDP1HIF1AEPAS1CES2MAPT
SCHEMBL29411323 0.75 HIF1A (0.81) TDP1HIF1AEPAS1CES2MAPT

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-2786990-B1 2-AMINATED METHYLENE OR 2-ESTERIFIED METHYLENE TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2018-08-08 EP disclosed
US-9771343-B2 2-alkyl-or-aryl-substituted tanshinone derivatives, and preparation method and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-26 US disclosed
US-9771343-B2 2-alkyl-or-aryl-substituted tanshinone derivatives, and preparation method and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-26 US disclosed
US-9328083-B2 2-aminated methylene or 2-esterified methylene tanshinone derivatives, and preparation method and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2016-05-03 US disclosed
US-9328083-B2 2-aminated methylene or 2-esterified methylene tanshinone derivatives, and preparation method and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2016-05-03 US disclosed
US-20150126552-A1 2-AMINATED METHYLENE OR 2-ESTERIFIED METHYLENE TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-20150126552-A1 2-AMINATED METHYLENE OR 2-ESTERIFIED METHYLENE TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-20140336249-A1 2-ALKYL-OR-ARYL-SUBSTITUTED TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2014-11-13 US disclosed
US-20140336249-A1 2-ALKYL-OR-ARYL-SUBSTITUTED TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2014-11-13 US disclosed
EP-2786989-A1 2-ALKYL-OR-ARYL-SUBSTITUTED TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF Hangzhou Bensheng Pharmaceutical Co., Ltd. (CN) 2014-10-08 EP disclosed
EP-2786990-A1 2-AMINATED METHYLENE OR 2-ESTERIFIED METHYLENE TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF Hangzhou Bensheng Pharmaceutical Co., Ltd. (CN) 2014-10-08 EP 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 (2 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-20150126552-A1 2-AMINATED METHYLENE OR 2-ESTERIFIED METHYLENE TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF NQO1, NFE2L2, NOS2 TDP1 4104/4885HIF1A 41/4885EPAS1 1098/4885
US-20140336249-A1 2-ALKYL-OR-ARYL-SUBSTITUTED TANSHINONE DERIVATIVES, AND PREPARATION METHOD AND APPLICATION THEREOF CYP2A7, TBXAS1, CYP2J2 TDP1 4451/4885HIF1A 1162/4885EPAS1 795/4885

“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.