SCHEMBL2194006

SCHEMBL2194006

O=[C]/C1=C/CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
GRM5 P41594 2/20 0.39
FFAR1 O14842 1/20 0.38
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSK P43235 1/20 0.32
KDM1A O60341 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
HSD11B1 P28845 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
SCHEMBL19280743 1.00 CYP1A2 (0.39) CYP1A2GRM5FFAR1HDAC4HDAC2
SCHEMBL2193339 1.00
SCHEMBL262534 0.97
SCHEMBL262240 0.90
SCHEMBL18828533 0.75 CYP1A2 (0.39) CYP1A2GRM5FFAR1HDAC4HDAC2
SCHEMBL150206 0.75
SCHEMBL8197420 0.75 CYP1A2 (0.39) CYP1A2GRM5FFAR1HDAC4HDAC2
SCHEMBL8197417 0.75 CYP1A2 (0.39) CYP1A2GRM5FFAR1HDAC4HDAC2
SCHEMBL10457078 0.75 CYP1A2 (0.39) CYP1A2GRM5FFAR1HDAC4HDAC2
SCHEMBL11331379 0.75 CYP1A2 (0.39) CYP1A2GRM5FFAR1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753385-B2 Method for producing kakeromycin and derivatives thereof OP BIO FACTORY CO., LTD. (JP) 2023-09-12 US disclosed
CN-115160248-A Method for producing Kakeromycin and derivatives thereof 海洋规划生物工厂株式会社 2022-10-11 CN disclosed
CN-114874131-A Method for producing Kakeromycin and derivatives thereof 海洋规划生物工厂株式会社 2022-08-09 CN disclosed
CN-114835596-A Method for producing Kakeromycin and derivatives thereof 海洋规划生物工厂株式会社 2022-08-02 CN disclosed
CN-107709335-B Method for producing Kakeromycin and derivatives thereof 海洋规划生物工厂株式会社 2022-05-31 CN disclosed
US-20220024883-A1 METHOD FOR PRODUCING KAKEROMYCIN AND DERIVATIVES THEREOF OP BIO FACTORY CO., LTD. (JP) 2022-01-27 US disclosed
EP-3263572-B1 METHOD FOR PRODUCING KAKEROMYCIN AND DERIVATIVES THEREOF SEED RES INSTITUTE CO LTD (JP) 2021-12-15 EP disclosed
US-11155526-B2 Method for producing kakeromycin and derivatives thereof OP BIO FACTORY CO., LTD. (JP) 2021-10-26 US disclosed
US-11066374-B2 Method for producing kakeromycin and derivatives thereof OP BIO FACTORY CO., LTD. (JP) 2021-07-20 US disclosed
US-10703732-B2 Method for producing kakeromycin and derivatives thereof OP BIO FACTORY CO., LTD. (JP) 2020-07-07 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4006122-A STORAGE STABLE THE UPJOHN COMPANY (US) 1977-02-01 US 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 (6 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 CYP1A2 37/4885GRM5 481/4885FFAR1 2327/4885
US-11753385-B2 Method for producing kakeromycin and derivatives thereof ERG28, CYP51A1, NISCH CYP1A2 169/4885GRM5 4717/4885FFAR1 3990/4885
US-11155526-B2 Method for producing kakeromycin and derivatives thereof ERG28, CYP51A1, NISCH CYP1A2 169/4885GRM5 4717/4885FFAR1 3990/4885
US-10703732-B2 Method for producing kakeromycin and derivatives thereof ERG28, CYP51A1, NISCH CYP1A2 169/4885GRM5 4717/4885FFAR1 3990/4885
US-20220024883-A1 METHOD FOR PRODUCING KAKEROMYCIN AND DERIVATIVES THEREOF ERG28, CYP51A1, NISCH CYP1A2 169/4885GRM5 4717/4885FFAR1 3990/4885
US-11066374-B2 Method for producing kakeromycin and derivatives thereof ERG28, CYP51A1, NISCH CYP1A2 169/4885GRM5 4717/4885FFAR1 3990/4885

“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.