SCHEMBL6467537

SCHEMBL6467537

C=CCOC(=O)CCCCC(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
LTA4H P09960 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 3/20 0.38
ACE2 Q9BYF1 1/20 0.38
GABRR1 P24046 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
ATM Q13315 1/20 0.35
PAM P19021 1/20 0.34

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
SCHEMBL29910307 0.83 TSHR (0.67) TSHRTDP1ALDH1A1GAAPKM
SCHEMBL18195547 0.83 TSHR (0.57) TSHRTDP1ALDH1A1GAAPKM
SCHEMBL28550279 0.83 TSHR (0.67) TSHRTDP1ALDH1A1GAAPKM
Allyl Hexanoate SCHEMBL29527701 0.83 TSHR (0.71) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL2492438 0.82 TSHR (0.60) TSHRTDP1ALDH1A1GAAPKM
SCHEMBL153651 0.80 TSHR (0.77) TSHRTDP1ALDH1A1GAACYP1A2
SCHEMBL28931215 0.80 TSHR (0.61) TSHRTDP1ALDH1A1GAAPKM
SCHEMBL1226647 0.80 LTA4H (0.53) TSHRLTA4HTDP1ALDH1A1CYP1A2
SCHEMBL28249376 0.79 TSHR (0.70) TSHRTDP1ALDH1A1GAAPKM
SCHEMBL11131759 0.78 TSHR (0.74) TSHRTDP1ALDH1A1GAACYP1A2

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-20050009912-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2005-01-13 US disclosed
EP-1463713-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-10-06 EP disclosed
EP-1458671-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
EP-1423411-A2 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-06-02 EP disclosed
WO-2003057661-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-07-17 WO disclosed
WO-2003045898-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-06-05 WO disclosed
WO-2003006489-A2 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-01-23 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-20050009912-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A3, SLC1A1 TSHR 1142/4885LTA4H 3098/4885TDP1 787/4885

“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.