SCHEMBL461619

SCHEMBL461619

O=C(O)CCC/C=C\C[C@H]1C(=O)CC=C1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 16/20 0.62
PTGER3 P43115 4/20 0.62
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
TBXA2R P21731 3/20 0.46
PTGER1 P34995 2/20 0.46
THRB P10828 1/20 0.46
PTGER2 P43116 1/20 0.46

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
SCHEMBL1047120 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL3342430 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL20514923 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1047119 1.00 PTGFR (0.62) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL461728 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1047123 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL1047121 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL20377702 0.91 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL20377694 0.90 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R
SCHEMBL462705 0.90 PTGFR (0.51) PTGFRPTGER3ABCC4ABCB11TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT LUBIT BEVERLY W 2011-01-06 US claimed
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
US-10408838-B2 Non-invasive biomarker to identify subject at risk of preterm delivery NYU WINTHROP HOSPITAL (US) 2019-09-10 US disclosed
EP-3382391-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY NYU Winthrop Hospital (US) 2018-10-03 EP disclosed
EP-2912458-B1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY NYU WINTHROP HOSPITAL (US) 2018-07-18 EP disclosed
US-20180003713-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECT AT RISK OF PRETERM DELIVERY WINTHROP-UNIVERSITY HOSPITAL 2018-01-04 US disclosed
US-9797903-B2 Non-invasive biomarker to identify subject at risk of preterm delivery WINTHROP-UNIVERSITY HOSPITAL (US) 2017-10-24 US disclosed
US-20150285800-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECT AT RISK OF PRETERM DELIVERY NYU WINTHROP HOSPITAL 2015-10-08 US disclosed
EP-2912458-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY Winthrop-University Hospital (US) 2015-09-02 EP disclosed
WO-2014066568-A1 NON-INVASIVE BIOMARKER TO IDENTIFY SUBJECTS AT RISK OF PRETERM DELIVERY WINTHROP-UNIVERSITY HOSPITAL (US) 2014-05-01 WO disclosed
US-20110318308-A1 LIPOCALIN-TYPE PROSTAGLANDIN D2 SYNTHASE AS A BIOMARKER FOR LUNG CANCER PROGRESSION AND PROGNOSIS WINTHROP-UNIVERSITY HOSPITAL (US) 2011-12-29 US disclosed
WO-2011163554-A2 LIPOCALIN-TYPE PROSTAGLANDIN D2 SYNTHASE AS A BIOMARKER FOR LUNG CANCER PROGRESSION AND PROGNOSIS WINTHROP-UNIVERSITY HOSPITAL (US) 2011-12-29 WO disclosed
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT LUBIT BEVERLY W 2011-01-06 US 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 (2 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-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT PGF, PTGS1, PTGS2 PTGFR 5/4885PTGER3 75/4885ABCC4 2628/4885
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS PTGER1, PGF, PTGER2 PTGFR 6/4885PTGER3 9/4885ABCC4 4757/4885

“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.