SCHEMBL7558240

SCHEMBL7558240

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
AKT1 P31749 2/20 0.69
LMNA P02545 2/20 0.69
PRKD3 O94806 1/20 0.69
PRKCG P05129 1/20 0.69
PRKCB P05771 1/20 0.69
PRKCA P17252 1/20 0.69
PRKCH P24723 1/20 0.69
PRKCI P41743 1/20 0.69
PRKCE Q02156 1/20 0.69
PRKCQ Q04759 1/20 0.69
PRKCZ Q05513 1/20 0.69
PRKCD Q05655 1/20 0.69
PRKD1 Q15139 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
GMNN O75496 1/20 0.69
BLM P54132 1/20 0.69

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
SCHEMBL9203174 1.00 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL2126087 1.00 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL29733465 0.99 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL29394546 0.97 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL53200 0.97 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL29365750 0.97 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL29905581 0.97 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL94022 0.90 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL93475 0.90 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AAKT1LMNA
SCHEMBL1532761 0.90 AKT1 (0.83) ALDH1A1MEN1KMT2AAKT1LMNA

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-20020177723-A1 Compounds and methods for the treatment of inflammatory and immune disorders LEUKOSITE, INC. 2002-11-28 US disclosed
US-6294574-B1 THERAPY OF DISORDER CAUSED BY PLATELET ACTIVATION FACTOR BY TRANS-2-(5-N'-METHYL-N'-HYDROXYUREIDYLMETHYL)-3-METHOXY-4-P-CH LOROPHENYLTHIOETHOXPHENYL)-5-(3,4,5-TRIMETHOXPHENYL)TETRAHYDRO FURAN OR ITS SALT CYTOMED, INC. 2001-09-25 US disclosed
US-6201016-B1 IMMUNOSUPPRESSANT AS 5-LIPOXYGENASE INHIBITOR AND/OR AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONIST CYTOMED INCORPORATED 2001-03-13 US disclosed
EP-0650485-B1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 2000-10-11 EP disclosed
US-5856323-A PAF RECEPTOR ANTAGONISTS, INHIBITING THE ENZYME 5-LIPOXYGENASE CYTOMED, INC. (US) 1999-01-05 US disclosed
US-5792776-A HYDROXAMIC SUBSTITUTED TETRAHYDROTHIPOHENES, TETRAHYDROFURANS, PYRROLIDINES AND CYCLOPENTANES CYTOMED, INC., (US) 1998-08-11 US disclosed
US-5780503-A Compounds and methods for the treatment of cardiovascular, inflammatory and immune disorders CYTOMED, INC. (US) 1998-07-14 US disclosed
US-5681966-A ENANTIOMERICALLY ENRICHED DISUBSTITUTED TETRAHYDROFURANS, TETRAHYDROTHIOPHENES ACT AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS OR 5-LIPOXYGENASE INHIBITORS CYTOMED, INC. (US) 1997-10-28 US disclosed
US-5648486-A LIPOXYGENASE INHIBITORS CYTOMED, INC. (US) 1997-07-15 US disclosed
US-5434151-A Treatment of immune and inflammatory disorders, aryl substituted tetrahydrofurans, tetrahydrothiophenes, cyclopentanes, pyrrolidines CYTOMED, INC. (US) 1995-07-18 US disclosed
EP-0656004-A1 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1995-06-07 EP disclosed
EP-0650485-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-05-03 EP disclosed
WO-1994006790-A1 2,4-DIARYL-1,3-DITHIOLANES; 2,4-DIARYL-1,3-DIOXOLANES; 2,4-DIARYL-1,3-OXATHIOLANES; AND 2,5-DIARYL-1,3-OXATHIOLANES AS PAF RECEPTOR ANTGONISTS AND INHIBITORS OF 5-LIPOXYGENASE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-31 WO disclosed
WO-1994004537-A2 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1994-03-03 WO disclosed
WO-1994001430-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1994-01-20 WO 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 (1 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-20020177723-A1 Compounds and methods for the treatment of inflammatory and immune disorders LTB4R2, LTC4S, LTB4R ALDH1A1 556/4885MEN1 4875/4885KMT2A 4155/4885

“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.