SCHEMBL3048324

SCHEMBL3048324

CCNC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
PTGFR P43088 12/20 0.64
PTGER3 P43115 5/20 0.64
ABCC4 O15439 1/20 0.59
ABCB11 O95342 1/20 0.59
MGLL Q99685 1/20 0.52
PTGER2 P43116 3/20 0.48
PTGER4 P35408 2/20 0.48
PTGIR P43119 2/20 0.48
TBXA2R P21731 2/20 0.48
PTGER1 P34995 2/20 0.48
NR1I2 O75469 1/20 0.48
ESR1 P03372 1/20 0.48
PGR P06401 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL3048327 1.00 THRB (0.65) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3048330 1.00 THRB (0.65) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3048380 0.93 THRB (0.65) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3048382 0.93 THRB (0.65) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3048378 0.93 THRB (0.65) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3056284 0.90 PTGFR (0.79) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3056281 0.90 PTGFR (0.79) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3056287 0.90 PTGFR (0.79) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL29392750 0.90 PTGFR (0.79) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL3046147 0.88 PTGFR (0.76) THRBMEN1KMT2APTGFRPTGER3

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-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 US claimed
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 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-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS PTGER1, PGF, PTGER2 THRB 2765/4885MEN1 2669/4885KMT2A 2358/4885

“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.