SCHEMBL13929944

SCHEMBL13929944

C=CC(=O)O[C@]1(C(=O)CO)[C@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.70
▸ AR P10275 5/20 0.70
▸ ABCB11 O95342 3/20 0.60
▸ CYP3A4 P08684 7/20 0.58
▸ NR3C1 P04150 6/20 0.58
▸ ADRA1A P35348 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ HIF1A Q16665 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NR1I2 O75469 2/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ ADORA3 P0DMS8 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47

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
SCHEMBL13929945 0.91 ABCB11 (0.73) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127170 0.90 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11262672 0.90 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127550 0.90 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11070636 0.90 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127169 0.90 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11236326 0.89 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11126579 0.89 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11236322 0.89 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11880720 0.89 PGR (0.74) PGRARABCB11CYP3A4NR3C1

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-20090048221-A1 Conjugates with Anti-Inflammatory Activity GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-02-19 — — US disclosed
US-20090048221-A1 Conjugates with Anti-Inflammatory Activity GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-02-19 — — 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-20090048221-A1 Conjugates with Anti-Inflammatory Activity MPO, EPX, NOD1 PGR 643/4885AR 1862/4885ABCB11 267/4885

“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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