SCHEMBL6755597

SCHEMBL6755597

CCCO[C@@H]1C[C@H](O)C(C/C=C\CCCC(=O)OC(C)C)[C@H]1/C=C/CCCCCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.54
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2B P41595 1/20 0.54
MC3R P41968 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SCN5A Q14524 1/20 0.54
TBXA2R P21731 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
PTGFR P43088 4/20 0.44
ABCB11 O95342 2/20 0.44
ABCC4 O15439 2/20 0.44
CA2 P00918 3/20 0.43

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
SCHEMBL6759590 1.00 PDE4D (0.54) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL7595295 0.90 ALDH1A1 (0.53) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL8944549 0.89 PDE4D (0.52) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL6692235 0.88 LMNA (0.42) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL7600604 0.88 LMNA (0.42) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL6691881 0.88 PTGFR (0.50) PDE4DTBXA2RALDH1A1KDM4EHKDC1
SCHEMBL8437236 0.88 LMNA (0.42) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL6694952 0.87 PDE4D (0.39) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL6694635 0.87 PDE4D (0.43) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL6756636 0.85 ALDH1A1 (0.55) PDE4DPGRADORA3ADRA2CSLC6A2

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 13 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-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-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 (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-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 PDE4D 1180/4885PGR 3817/4885ADORA3 889/4885
US-20020143054-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, CYP8B1 PDE4D 1089/4885PGR 3826/4885ADORA3 802/4885

“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.