SCHEMBL5835648

SCHEMBL5835648

C=C(O[O])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
CES1 P23141 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CES2 O00748 3/20 0.43
TSHR P16473 3/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
AKT1 P31749 1/20 0.41
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL214249 0.78 LMNA (0.42) LMNAF2CES1ALDH1A1CES2
SCHEMBL3205106 0.77 LMNA (0.37) LMNAF2CES1ALDH1A1CES2
SCHEMBL13242263 0.76 TSHR (0.42) LMNAF2CES1ALDH1A1CES2
Methane SCHEMBL756715 0.76 LMNA (0.40) LMNAF2CES1ALDH1A1CES2
SCHEMBL14775162 0.75 LMNA (0.46) LMNAF2CES1ALDH1A1CES2
SCHEMBL5485329 0.75 LMNA (0.46) LMNAF2CES1ALDH1A1CES2
SCHEMBL22593580 0.74 MAOA (0.41) LMNAF2CES1ALDH1A1CES2
SCHEMBL269069 0.74 TSHR (0.52) LMNAF2CES1ALDH1A1CES2
SCHEMBL8470664 0.74 LMNA (0.39) LMNAF2CES1ALDH1A1CES2
SCHEMBL8168314 0.73 LMNA (0.39) LMNAF2CES1ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115767-B2 Tetraline derivatives as ghrelin receptor modulators ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 US disclosed
US-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators ABBVIE INC. 2005-01-20 US 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 (2 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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators GPR119, GIPR, GLP1R LMNA 3725/4885F2 4559/4885CES1 1024/4885
US-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators GPR119, GHSR, GIPR LMNA 4351/4885F2 4599/4885CES1 2913/4885

“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.