SCHEMBL13100129

SCHEMBL13100129

CC(=O)c1cc(O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B1 P14061 3/20 0.45
HSD17B2 P37059 2/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CES2 O00748 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
CES1 P23141 1/20 0.43
ESR1 P03372 3/20 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
SCHEMBL29799863 0.83 MAOB (0.50) ALDH1A1CYP3A4HPGDMAPK1HSD17B1
SCHEMBL310878 0.83 MAOB (0.50) ALDH1A1CYP3A4HPGDMAPK1HSD17B1
SCHEMBL364307 0.80 CES2 (0.68) CA9CA14CES2CES1MAOB
SCHEMBL29766689 0.80 CES2 (0.68) CA9CA14CES2CES1MAOB
SCHEMBL1264408 0.80 CA1 (0.61) CLK1DYRK1ADYRK1BALDH1A1CYP3A4
SCHEMBL16520525 0.79 ALDH1A1 (0.55) CLK1DYRK1ADYRK1BALDH1A1CYP3A4
SCHEMBL19859386 0.78 CLK1 (0.40) CLK1DYRK1ADYRK1BHSD17B1HSD17B2
SCHEMBL765931 0.78 CSNK2A1 (0.45) ALDH1A1CES2CES1KDM4EMEN1
SCHEMBL3621421 0.78 MAOB (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL201365 0.78 CLK1 (0.47) CLK1DYRK1ADYRK1BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-03 US disclosed
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 US disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
US-20240122876-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS NATIONAL SCIENCE FOUNDATION 2024-04-18 US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230126280-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2023-04-27 US disclosed
US-20180057485-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 US disclosed
EP-3271355-A1 BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2018-01-24 EP disclosed
WO-2017006282-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2017-01-12 WO disclosed
WO-2016150785-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-29 WO disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 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 (10 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-20240122876-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS UACA, CRYZ, MAPT CLK1 3690/4885DYRK1A 3856/4885DYRK1B 3734/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885DYRK1B 618/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885DYRK1B 618/4885
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 CLK1 2646/4885DYRK1A 3561/4885DYRK1B 3659/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 CLK1 1314/4885DYRK1A 2485/4885DYRK1B 3133/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR CLK1 4021/4885DYRK1A 4517/4885DYRK1B 4574/4885
US-20180057485-A1 BACE1 INHIBITORS BACE1, BACE2, APP CLK1 4341/4885DYRK1A 4804/4885DYRK1B 4779/4885
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, CHP1, FKBP8 CLK1 4476/4885DYRK1A 4831/4885DYRK1B 4842/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 CLK1 3867/4885DYRK1A 4492/4885DYRK1B 4545/4885
US-20230126280-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD CLK1 4434/4885DYRK1A 4130/4885DYRK1B 4117/4885

“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.