SCHEMBL3045456

SCHEMBL3045456

CC(C)OC(=O)CCCC=CC[C@H]1C=CC(=O)[C@@H]1C=CC(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 14/20 0.67
ABCC4 O15439 2/20 0.67
ABCB11 O95342 1/20 0.67
PTGER3 P43115 4/20 0.53
MAPT P10636 1/20 0.46
UCHL3 P15374 1/20 0.46
GALR3 O60755 1/20 0.43
TBXA2R P21731 4/20 0.42
PTGER1 P34995 2/20 0.39
THRB P10828 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL3045455 1.00 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3045460 1.00 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3045452 1.00 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3045453 1.00 PTGFR (0.67) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3043727 0.90 PTGFR (0.65) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3043724 0.90 PTGFR (0.65) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3043720 0.90 PTGFR (0.65) PTGFRABCC4ABCB11PTGER3MAPT
SCHEMBL3342993 0.89 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1045457 0.89 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TBXA2R
SCHEMBL1045458 0.89 PTGFR (0.68) PTGFRABCC4ABCB11PTGER3TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039535-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS META COSMETICS, LLC (US) 2010-04-08 WO claimed
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 US claimed
WO-2010039535-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS META COSMETICS, LLC (US) 2010-04-08 WO disclosed
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 PTGFR 6/4885ABCC4 4757/4885ABCB11 2582/4885

“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.