SCHEMBL6694985

SCHEMBL6694985

CO[C@H]1C[C@@H](OC)C(C/C=C\CCCCO)[C@@H]1/C=C/CCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL8580246 0.91 TBXA2R (0.41) PDE4DALDH1A1
SCHEMBL6696155 0.91 TBXA2R (0.41) PDE4DALDH1A1
SCHEMBL6693745 0.89 PDE4D (0.48) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL8437790 0.89 PDE4D (0.39) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL6694950 0.89 PDE4D (0.39) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL6689848 0.89 PDE4D (0.39) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL6694963 0.89 PDE4D (0.39) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL6695733 0.84 PDE4D (0.36) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL6700726 0.82 PDE4D (0.35) PDE4DKDM4EALDH1A1HKDC1TDP1
SCHEMBL6690486 0.81 PDE4D (0.49) PDE4DKDM4EALDH1A1HKDC1TDP1

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 PDE4D 1180/4885KDM4E 1864/4885ALDH1A1 1295/4885
US-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 PDE4D 1180/4885KDM4E 1864/4885ALDH1A1 1295/4885
US-20020143054-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, CYP8B1 PDE4D 1089/4885KDM4E 1777/4885ALDH1A1 1169/4885

“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.