SCHEMBL4017348

SCHEMBL4017348

COC(=O)CCc1c(O)cccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA2 P00918 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
IAPP P10997 1/20 0.41
ESRRB O95718 1/20 0.41

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
SCHEMBL27610500 0.88 ALDH1A1 (0.43) CA12CA7CA14CA1CA9
SCHEMBL27544132 0.88 SMN1; SMN2 (0.46) CA12CA7CA14CA1CA9
Hydrochloric Acid SCHEMBL15106783 0.87 ALDH1A1 (0.42) CA12CA7CA14CA1CA9
SCHEMBL27327851 0.83 LMNA (0.47) TSHRALDH1A1LMNAMAPTKMT2A
SCHEMBL27903622 0.82 HSP90AA1 (0.50) CA12CA7CA14CA9TSHR
SCHEMBL27520483 0.81 CA12 (0.55) CA12CA7CA14CA1CA9
SCHEMBL2059540 0.81 TSHR (0.50) EGFRSRCTSHRALDH1A1LMNA
SCHEMBL8799578 0.81 BID (0.42) EGFRSRCMAPTHSD17B10KDM4E
SCHEMBL2934916 0.80 IAPP (0.67) CA12CA7CA14CA1CA9
SCHEMBL28040733 0.80 CA12 (0.53) CA12CA7CA14CA1CA9

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085264-A Asymmetric synthesis method for tanshinol ester derivative UNIV SHANGHAI JIAOTONG 2015-11-25 CN disclosed
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
CN-100509783-C Pheny(alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA TAU IND FARMACEUTI (IT) 2009-07-08 CN disclosed
EP-1991705-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2009-07-01 EP disclosed
EP-1991705-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-6972339-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-06 US disclosed
US-20050176066-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-08-11 US disclosed
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-08-04 US disclosed
CN-1617854-A Pheny(alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA TAU IND FARMACEUTI (IT) 2005-05-18 CN disclosed
EP-1466176-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2004-10-13 EP disclosed
CN-1509267-A Thyroid hormone receptor atagonists for treating cardiac and metabolic disorders II �����ɷ� 2004-06-30 CN disclosed
WO-2003023357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2003-03-20 WO disclosed
CN-1215724-A Novel compounds SMITHKLINE BEECHAM PLC (GB) 1999-05-05 CN disclosed
CN-1042532-C Substituted phenyl trifluoro ethoxy propionic acid and its use SMITHKLINE BEECHAM PLC (GB) 1999-03-17 CN disclosed
CN-1095716-A Novel compound having excellent hypoglycemic activity SMITHKLINE BEECHAM PLC (GB) 1994-11-30 CN 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-20050176066-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB CA12 1977/4885CA7 1726/4885CA14 1451/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB CA12 1977/4885CA7 1726/4885CA14 1451/4885

“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.