SCHEMBL13179799

SCHEMBL13179799

CCCC1(C(O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 1.00
PTGER2 P43116 4/20 1.00
TSHR P16473 2/20 0.59
PTGER4 P35408 1/20 0.59
MEN1 O00255 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
RARB P10826 1/20 0.59
RARG P13631 1/20 0.59
DRD1 P21728 1/20 0.59
NR4A2 P43354 1/20 0.59
LMNA P02545 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL23352984 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
SCHEMBL14273618 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
SCHEMBL13143656 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
SCHEMBL23352757 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
SCHEMBL13951097 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
SCHEMBL14366538 0.91 PTGIR (0.84) PTGIRPTGER2TSHRPTGER4MEN1
SCHEMBL7587667 0.91 PTGIR (0.84) PTGIRPTGER2TSHRPTGER4MEN1
Butaprost SCHEMBL23353211 0.90 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
Butaprost SCHEMBL23352571 0.90 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1
Butaprost SCHEMBL16335459 0.90 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 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 (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-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS PTGIR 380/4885PTGER2 331/4885TSHR 2474/4885

“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.