SCHEMBL6947005

SCHEMBL6947005

CC1(CCCCCCCCC(=O)O)C=Cc2cc(/C=N\N)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
PTGS1 P23219 2/20 0.40
XDH P47989 2/20 0.40
PTGS2 P35354 1/20 0.40
PTPN1 P18031 3/20 0.35
SLC6A2 P23975 2/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
APP P05067 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL6947018 1.00 BACE1 (0.43) BACE1PTGS1XDHPTGS2PTPN1
Hydrochloric Acid SCHEMBL7124486 0.87 BACE1 (0.38) BACE1PTGS1XDHPTGS2PTPN1
SCHEMBL6947011 0.80 BACE1 (0.48) BACE1PTGS1XDHPTGS2
Hydrochloric Acid SCHEMBL6948553 0.67 BACE1 (0.43) BACE1PTGS1XDHPTGS2SLC6A2
SCHEMBL7385516 0.66 MAPT (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17423974 0.62 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6RXFP1
SCHEMBL17423976 0.62 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6RXFP1
SCHEMBL17423983 0.62 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6RXFP1
SCHEMBL4799682 0.61 PTGS1 (0.50) BACE1PTGS1XDHPTGS2SLC6A2
Cordiachromene A SCHEMBL16666262 0.60 PTGS1 (0.68) BACE1PTGS1XDHPTGS2PTPN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
US-6448269-B1 SUCH AS 6-(N-(4-(AMINOIMINOMETHYL)BENZOYL)AMINO)-3,4-DIHYDRO-4,4-DIMETHYL-2H-1 -BENZOPYRAN-2-YL)ACETIC ACID; INHIBITING PLATELET AGGREGATION OR FIBRINOGEN BINDING OR PREVENTING THROMBOSIS ELI LILLY AND COMPANY 2002-09-10 US disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 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 (1 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-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 BACE1 2557/4885PTGS1 1183/4885XDH 2127/4885

“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.