SCHEMBL6084752

SCHEMBL6084752

O=C1C(=O)[C@@H]2C[C@@H](C1=O)C(C/C=C\CCCCO)C2C=CCCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TBXA2R P21731 2/20 0.31
PTGFR P43088 1/20 0.30

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
SCHEMBL6085022 0.92 TBXA2R (0.41) ALDH1A1TBXA2RPTGFR
SCHEMBL7099597 0.88 KDM4E (0.44) ALDH1A1TBXA2R
SCHEMBL6085559 0.85 CNR2 (0.36) ALDH1A1PTGFR
SCHEMBL6092808 0.85
SCHEMBL6086811 0.82 PTGFR (0.37) TBXA2RPTGFR
SCHEMBL6085069 0.75 TBXA2R (0.39) ALDH1A1TBXA2RPTGFR
SCHEMBL6084756 0.74 TBXA2R (0.47) ALDH1A1TSHRTBXA2RPTGFR
SCHEMBL6086678 0.74 ALDH1A1 (0.40) ALDH1A1TBXA2R
SCHEMBL6085363 0.74 TBXA2R (0.39) ALDH1A1TSHRTBXA2RPTGFR
SCHEMBL6692631 0.72 PTGFR (0.46) ALDH1A1TSHRTBXA2RPTGFR

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-20030109571-A1 Thromboxane ligands without blood clotting side effects ALLERGAN SALES, INC. 2003-06-12 US claimed
EP-0737185-B1 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF ALLERGAN INC (US) 1999-03-31 EP claimed
US-7019149-B2 Thromboxane ligands without blood clotting side effects ALLERGAN, INC. (US) 2006-03-28 US disclosed
US-20050049300-A1 Thromboxane ligands without blood clotting side effects ALLERGAN SALES, INC. 2005-03-03 US disclosed
US-5516791-A VISION DEFECTS FOR TREATMENT OF HYPERTENSION OF EYES ALLERGAN (US) 1996-05-14 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-20050049300-A1 Thromboxane ligands without blood clotting side effects OXER1, TBXA2R, OXTR ALDH1A1 1904/4885TSHR 106/4885TBXA2R 2/4885
US-20030109571-A1 Thromboxane ligands without blood clotting side effects OXER1, TBXA2R, CBR1 ALDH1A1 1908/4885TSHR 206/4885TBXA2R 2/4885

“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.