SCHEMBL1043820

SCHEMBL1043820

CCNC(=O)CCCC=CCC1=C(C=C[C@@H](O)COc2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 6/20 0.47
PTGER3 P43115 1/20 0.47
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3053177 1.00 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043817 1.00 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043819 1.00 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1460588 1.00 PTGFR (0.47) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1044516 0.93 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1044517 0.93 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1460919 0.93 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1044518 0.93 PTGFR (0.48) PTGFRPTGER3ABCC4ABCB11CYP1A2
SCHEMBL1043901 0.90 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11
SCHEMBL1043903 0.90 PTGFR (0.58) PTGFRPTGER3ABCC4ABCB11

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 5 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
US-20100074857-A1 COMPOSITIONS AND METHODS TO TREAT EPITHELIAL-RELATED CONDITIONS LIPKIN PAMELA 2010-03-25 US claimed
WO-2011032159-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT META COMESTICS, LLC (US) 2011-03-17 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.