SCHEMBL2954691

SCHEMBL2954691

CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 9/20 0.79
▸ PTGER2 P43116 4/20 0.79
▸ PTGER4 P35408 4/20 0.79
▸ TSHR P16473 3/20 0.79
▸ ABCC4 O15439 2/20 0.79
▸ LMNA P02545 2/20 0.79
▸ HPGD P15428 2/20 0.79
▸ MAPK1 P28482 2/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ CYP3A4 P08684 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ ABCC3 O15438 1/20 0.79
▸ RARB P10826 1/20 0.79
▸ RARG P13631 1/20 0.79
▸ DRD1 P21728 1/20 0.79
▸ NR4A2 P43354 1/20 0.79
▸ CYP2C19 P33261 1/20 0.79
▸ HIF1A Q16665 1/20 0.79
▸ PGR P06401 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64

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
SCHEMBL11743186 1.00 PTGIR (0.79) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11787193 1.00 PTGIR (0.79) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11747539 1.00 PTGIR (0.79) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL2954686 1.00 PTGIR (0.79) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL29356252 1.00 PTGIR (0.79) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL2954688 1.00 PTGIR (0.79) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11865139 0.99 PTGIR (0.77) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11865151 0.99 PTGIR (0.77) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11865144 0.99 PTGIR (0.77) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11787423 0.94 PTGIR (0.69) PTGIRPTGER2PTGER4TSHRABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772278-B2 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2010-08-10 — — US disclosed
US-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-04-02 — — US disclosed
US-7449595-B2 for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions NITROMED, INC. (US) 2008-11-11 — — US disclosed
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2007-05-17 — — US disclosed
US-7176238-B1 Nitrostated and nitrosylated prostaglandins, compositions and methods of use NITROMED INC. (US) 2007-02-13 — — 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-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE PTGIS, PGF, PTGS1 PTGIR 9/4885PTGER2 17/4885PTGER4 16/4885
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use PTGIS, PGF, PTGS1 PTGIR 9/4885PTGER2 17/4885PTGER4 16/4885

“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.

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