SCHEMBL4018313

SCHEMBL4018313

COc1ccc(C=O)c(OC)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 6/20 0.43
SRC P12931 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NFE2L2 Q16236 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1620491 0.85 ALDH1A1 (0.47) ALDH1A1CA1CA2TSHRKDM4E
SCHEMBL9027918 0.84 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL2843121 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL27702945 0.82 CA1 (0.47) ALDH1A1CA1CA2TSHRKDM4E
SCHEMBL31538163 0.82 CA1 (0.47) ALDH1A1CA1CA2TSHRKDM4E
SCHEMBL269268 0.82 ALDH1A1 (0.56) ALDH1A1CA1CA2TSHRKDM4E
SCHEMBL31474876 0.82 ALDH1A1 (0.56) ALDH1A1CA1CA2TSHRKDM4E
SCHEMBL2436416 0.81 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL16020868 0.81 L3MBTL1 (0.43) ALDH1A1CA1CA2KDM4ETDP1
SCHEMBL3840934 0.79 MCL1 (0.47) ALDH1A1CA1CA2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213396-B Indole-2-ketone compound and preparation method and application thereof 深圳市乐土生物医药有限公司 2023-03-24 CN disclosed
CN-114213396-A Indole-2-ketone compound and preparation method and application thereof 深圳市乐土生物医药有限公司 2022-03-22 CN disclosed
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
CN-105051048-B 1-hydroxy-benzoxaboroles as antiparasitic agents 伊莱利利公司 2017-03-15 CN disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
CN-105051048-A 1-hydroxy-benzoxaboroles as antiparasitic agents LILLY CO ELI 2015-11-11 CN disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 WO disclosed
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
EP-1466176-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2008-10-01 EP disclosed
WO-2007098336-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-7112684-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-26 US disclosed
US-20060204990-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-14 US disclosed
US-20050277144-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-15 US 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
EP-1466176-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2004-10-13 EP disclosed
WO-2003023357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2003-03-20 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 (5 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 ALDH1A1 218/4885CA1 3267/4885CA2 4235/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ALDH1A1 445/4885CA1 3257/4885CA2 4361/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB ALDH1A1 218/4885CA1 3267/4885CA2 4235/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB ALDH1A1 218/4885CA1 3267/4885CA2 4235/4885
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO ALDH1A1 518/4885CA1 3913/4885CA2 1429/4885

“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.