SCHEMBL6958002

SCHEMBL6958002

CCOC(=O)CCCCCCCCC1(C)C=Cc2cc(C#N)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
XDH P47989 1/20 0.39
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ABCB1 P08183 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
KCNE1 P15382 4/20 0.33
KCNQ1 P51787 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Hydrochloric Acid SCHEMBL6948553 0.80 BACE1 (0.43) BACE1PTGS1PTGS2XDHCYP4F2
Hydrochloric Acid SCHEMBL7124486 0.79 BACE1 (0.38) BACE1PTGS1PTGS2XDHCYP4F2
SCHEMBL8545396 0.78 PPARD (0.39) BACE1PTGS1PTGS2XDHALK
SCHEMBL6952737 0.75 KDM4E (0.46) MEN1KMT2AALKKDM4ESMN1; SMN2
SCHEMBL6953548 0.75 ABCB1 (0.42) ABCB1SIRT2KCNE1KCNQ1CYP1A2
SCHEMBL9736524 0.73 PTGS1 (0.46) BACE1PTGS1PTGS2XDHABCB1
SCHEMBL6948888 0.72 MAPT (0.47) BACE1PTGS1PTGS2XDHCA12
SCHEMBL30523681 0.68 CA12 (0.46) PTGS1PTGS2XDHABCB1CA12
SCHEMBL506743 0.68 CA12 (0.46) PTGS1PTGS2XDHABCB1CA12
SCHEMBL6336869 0.68 HDAC1 (0.58) SMN1; SMN2ALDH1A1FFAR1

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 9 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
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP 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 1183/4885PTGS2 1343/4885

“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.