SCHEMBL530928

SCHEMBL530928

CC(C)=CCCC(C)=CCCC(C)=C[C]=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
ALDH1A1 P00352 2/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 6/20 0.55
KDM4E B2RXH2 1/20 0.52
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
GGPS1 O95749 1/20 0.49

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
SCHEMBL7757953 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL530927 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL954111 0.96 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL954112 0.96 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL27987791 0.87 KMT2A (0.85) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11436605 0.83 BTN3A1 (0.44) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11436601 0.83 BTN3A1 (0.44) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8702915 0.82 SQLE (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8702913 0.82 SQLE (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.79 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110933-A AN ENZYME INHIBITOR TREATING PANCREATITIS, HEPATITIS, CHRONIC RENAL FAILURE, ENDOTOXIN SHOCK, GRAM-NEGATIVE SEPTIC SHOCK, ARTHRITIS, RESPIRATORY DISEASE, HEART DISEASE, ALLERGIC DISEASE, THROMBOSIS, ARTERIOSCLEROSIS, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-29 US claimed
US-9901565-B2 Membrane fusion inhibitor PROTECTEA, LTD. (JP) 2018-02-27 US disclosed
US-9801850-B2 Antibacterial agent OSAKA UNIVERSITY (JP) 2017-10-31 US disclosed
US-20150111961-A1 MEMBRANE FUSION INHIBITOR PROTECTEA, LTD. (JP) 2015-04-23 US disclosed
EP-2460405-B1 EPIGALLOCATECHIN GALLATE DERIVATIVE AS ANTIBACTERIAL AGENT UNIV OSAKA (JP) 2015-03-18 EP disclosed
US-8952055-B2 Membrane fusion inhibitor PROTECTEA, LTD. (JP) 2015-02-10 US disclosed
EP-2460405-A1 ANTIBACTERIAL AGENT Osaka University (JP) 2012-06-06 EP disclosed
US-20120136049-A1 ANTIBACTERIAL AGENT OSAKA UNIVERSITY (JP) 2012-05-31 US disclosed
EP-1854877-B1 Process for the deacylation of cyclic lipopeptides ASTELLAS PHARMA INC (JP) 2012-02-08 EP disclosed
US-20110003889-A1 MEMBRANE FUSION INHIBITOR KAIHATSU, Kunihiro (JP) 2011-01-06 US disclosed
US-5463181-A Farnesyl: protein transferase inhibitors as anticancer agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-10-31 US disclosed
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 WO disclosed
EP-0644199-A1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-22 EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
WO-1994019357-A1 FARNESYL:PROTEIN TRANSFERASE INHIBITORS AS ANTICANCER AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-01 WO disclosed
EP-0332143-B1 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-[(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienoate] KURARAY CO (JP) 1994-03-16 EP disclosed
US-5278156-A Steroids KURARAY CO., LTD. (JP) 1994-01-11 US disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed
US-5015746-A Esterification of prednisolone with 3,7,11-trimethyl-2,6,10-dodecatrienoic acid in the presence of disubstituted aminopyridines and a condensing agents KURARAY CO., LTD. (JP) 1991-05-14 US disclosed
EP-0332143-A1 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-[(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienoate] KURARAY CO., LTD. (JP) 1989-09-13 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 (3 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-20120136049-A1 ANTIBACTERIAL AGENT TEAD4, ELOVL6, TEAD1 KMT2A 1258/4885MAPT 4224/4885MEN1 4331/4885
US-20150111961-A1 MEMBRANE FUSION INHIBITOR FLOT1, NSF, VAMP7 KMT2A 2118/4885MAPT 3717/4885MEN1 2941/4885
US-20110003889-A1 MEMBRANE FUSION INHIBITOR FLOT1, NSF, VAMP7 KMT2A 2118/4885MAPT 3717/4885MEN1 2941/4885

“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.