SCHEMBL17682838

SCHEMBL17682838

C#CCC[C@H](CCCCC)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.40
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ LPAR1 Q92633 4/20 0.32
▸ LPAR3 Q9UBY5 4/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL19266155 0.82 DNM1 (0.56) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL17263914 0.82 DNM1 (0.56) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL13445900 0.82 DNM1 (0.56) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL11940481 0.79 OPRM1 (0.31) —
SCHEMBL5532689 0.78 DNM1 (0.61) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL18051492 0.78 DNM1 (0.61) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL8345191 0.78 DNM1 (0.61) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL11187145 0.78 DNM1 (0.61) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL11181978 0.78 DNM1 (0.61) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL11189857 0.78 DNM1 (0.61) DNM1CNR1CNR2ALDH1A1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313643-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-11-02 — — US disclosed
WO-2016055819-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2016-04-14 — — 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-20170313643-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL PTGIS, CYP2C19, CYP2F1 DNM1 1928/4885CNR1 1737/4885CNR2 2834/4885

“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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