SCHEMBL6693793

SCHEMBL6693793

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
PDE4D Q08499 9/20 0.52
PTGER2 P43116 1/20 0.41
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2B P41595 1/20 0.40
MC3R P41968 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
LMNA P02545 3/20 0.39
TBXA2R P21731 2/20 0.39
PTGER1 P34995 2/20 0.39
PTGFR P43088 2/20 0.39

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
SCHEMBL7595295 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6756636 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6692594 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8430735 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6694590 0.90 PDE4D (0.50) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6692368 0.90 PDE4D (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6691943 0.89 PDE4D (0.39) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6694924 0.89 PDE4D (0.48) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6695023 0.87 PDE4D (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11789450 0.87 ALDH1A1 (0.63) ALDH1A1KDM4EHKDC1TDP1SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122102-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ALLERGAN, INC. 2004-06-24 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 (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-20040122102-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 ALDH1A1 1295/4885KDM4E 1864/4885HKDC1 395/4885
US-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 ALDH1A1 1295/4885KDM4E 1864/4885HKDC1 395/4885

“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.