SCHEMBL3156299

SCHEMBL3156299

CC(C)(C)COCc1cccc(Oc2cccc(COCC(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
CETP P11597 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 4/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 1/20 0.38
ADRA2A P08913 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL9559057 0.95 KDM4E (0.46) CETPKDM4EALDH1A1TDP1HTT
SCHEMBL9558487 0.91 SMN1; SMN2 (0.52) IDO1AGXTKDM4EALDH1A1HTT
SCHEMBL9558587 0.89 FFAR4 (0.41) AGXTCETPKDM4EALDH1A1HTT
SCHEMBL18997045 0.88 IDO1 (0.59) IDO1AGXTMAOB
SCHEMBL10532258 0.82 NPC1 (0.44) CETPKDM4EALDH1A1TDP1HTT
SCHEMBL10859391 0.81 NPC1 (0.49) CETPKDM4EALDH1A1TDP1HTT
SCHEMBL17523553 0.80 ESR1 (0.39) IDO1AGXTKDM4EALDH1A1ATM
Methyl Alcohol SCHEMBL9848800 0.80 NPC1 (0.45) CETPKDM4EALDH1A1TDP1HTT
SCHEMBL10346794 0.80 KDM4E (0.45) CETPKDM4EALDH1A1TDP1HTT
SCHEMBL10660015 0.80 TDP1 (0.43) CETPKDM4EALDH1A1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 IDO1 1946/4885AGXT 176/4885CETP 670/4885

“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.