SCHEMBL6692595

SCHEMBL6692595

CO[C@H]1C[C@@H](O)C(C/C=C\CCCCCC(C)(C)C(=O)O)[C@@H]1/C=C/CCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.46
TBXA2R P21731 4/20 0.41
PTGFR P43088 4/20 0.41
PTGER1 P34995 3/20 0.41
PTGER3 P43115 3/20 0.41
PDE4D Q08499 4/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
ABCC4 O15439 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGDR Q13258 1/20 0.35

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
SCHEMBL6694950 0.87 PDE4D (0.39) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6694963 0.87 PDE4D (0.39) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6690724 0.85 PDE4D (0.49) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL8579034 0.85 PDE4D (0.49) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6690486 0.85 PDE4D (0.49) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6700071 0.85 PTGFR (0.36) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6691950 0.83 PDE4D (0.42) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL8430735 0.82 ALDH1A1 (0.52) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6692594 0.82 ALDH1A1 (0.52) TBXA2RPTGFRPTGER1PTGER3PDE4D
SCHEMBL6695733 0.82 PDE4D (0.36) TBXA2RPTGFRPTGER1PTGER3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414022-B2 POTENT OCULAR HYPOTENSIVES; TREATING GLAUCOMA, INCONTINENCE, IMMUNE REGULATION, BONE METABOLISM DISORDER AND RENAL DYSFUNCTION; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. 2002-07-02 US claimed
US-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ALLERGAN SALES, INC. 2002-01-03 US claimed
US-20040122102-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ALLERGAN, INC. 2004-06-24 US disclosed
US-6716876-B2 ADMINISTERING 7-(5-HYDROXY-2-(HYDROXY- HYDROCARBYL OR HETEROATOM-SUBSTITUTED HYDROXYHYDROCARBYL)-3-HYDROXYCYCLOPENTYL(ENYL)) HEPTANOIC OR HEPTENOIC ACIDS FOR THERAPY OF INCONTINENCE, BONE METABOLISM, RENAL DISORDER ALLERGAN, INC. 2004-04-06 US disclosed
US-20020143054-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ALLERGAN, INC. 2002-10-03 US disclosed
US-6414022-B2 POTENT OCULAR HYPOTENSIVES; TREATING GLAUCOMA, INCONTINENCE, IMMUNE REGULATION, BONE METABOLISM DISORDER AND RENAL DYSFUNCTION; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. 2002-07-02 US disclosed
US-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ALLERGAN SALES, INC. 2002-01-03 US disclosed
US-6303658-B1 THERAPY OF OCULAR HYPERTENSION BY APPLYING CYCLOPENTANE HEPTENOIC ACID OR HEPTANOIC ACID AND/OR DERIVATIVE ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-5990138-A 7-(5-HYDROXY-2-(HYDROXYHYDROCARBYL OR HETEROATOM-SUBSTITUTED HYDROXYHYDROCARBYL)-3-HYDROXYCYCLOPENTYL(ENYL)) HEPTANOIC OR -ENOIC ACIDS AND DERIVATIVES; POTENT HYPOTENSIVE AGENTS FOR GLAUCOMA; CARDIOVASCULAR, RESPIRATORY DISORDERS; PGS ALLERGAN (US) 1999-11-23 US disclosed
US-5906989-A TREATING GLAUCOMA ALLERGAN SALES, INC. (US) 1999-05-25 US disclosed
EP-0737184-B1 CYCLOPENTANE(ENE) HEPTENOIC OR HEPTANOIC ACIDS AND DERIVATIVES THEREOF USEFUL AS THERAPEUTIC AGENTS ALLERGAN INC (US) 1999-04-28 EP disclosed
US-5798378-A TREATMENT OF OCULAR HYPERTENSION ALLERGAN (US) 1998-08-25 US disclosed
US-5681848-A VISION DISORDERS ALLERGAN (US) 1997-10-28 US disclosed
US-5587391-A TREATING OCULAR HYPERTENSION ALLERGAN (US) 1996-12-24 US disclosed
US-5545665-A GLAUCOMA; REDUCING OCULAR PRESSURE ALLERGAN (US) 1996-08-13 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 (3 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-20040122102-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 ACLY 2074/4885TBXA2R 49/4885PTGFR 88/4885
US-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 ACLY 2074/4885TBXA2R 49/4885PTGFR 88/4885
US-20020143054-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, CYP8B1 ACLY 2169/4885TBXA2R 46/4885PTGFR 92/4885

“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.