Sugi Predict

Sugi Predict / Compounds / SCHEMBL6697671

SCHEMBL6697671

SCHEMBL6697671

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ ABCB11 O95342 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ PTGFR P43088 4/20 0.39
▸ PTGER3 P43115 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TBXA2R P21731 3/20 0.39
▸ PTGER1 P34995 3/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ SLCO2A1 Q92959 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL6695023 0.90 PDE4D (0.42) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694635 0.89 PDE4D (0.43) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL8430735 0.88 ALDH1A1 (0.52) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6692594 0.88 ALDH1A1 (0.52) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6690486 0.87 PDE4D (0.49) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL8579034 0.87 PDE4D (0.49) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6690724 0.87 PDE4D (0.49) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6691950 0.87 PDE4D (0.42) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694963 0.86 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694950 0.86 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1

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 16 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-6303658-B1 THERAPY OF OCULAR HYPERTENSION BY APPLYING CYCLOPENTANE HEPTENOIC ACID OR HEPTANOIC ACID AND/OR DERIVATIVE ALLERGAN SALES, INC. 2001-10-16 — — 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 1180/4885ALDH1A1 1295/4885KDM4E 1864/4885
US-20020002150-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, ALOX5 PDE4D 1180/4885ALDH1A1 1295/4885KDM4E 1864/4885
US-20020143054-A1 Cyclopentane(ENE)heptenoic or heptanoic acids and derivatives thereof useful as therapeutic agents ELOVL5, SQLE, CYP8B1 PDE4D 1089/4885ALDH1A1 1169/4885KDM4E 1777/4885

“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.