SCHEMBL4455714

SCHEMBL4455714

O=C(O)COC[C@@H](O)[C@@H](O)C=CC=CC#CC=C[C@@H](O)COc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TBXA2R P21731 2/20 0.32
FFAR1 O14842 1/20 0.32
PTGFR P43088 3/20 0.32
PTGER3 P43115 2/20 0.32
PTGER1 P34995 1/20 0.32
GPR34 Q9UPC5 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4449601 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL4449606 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL4448187 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL1398010 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL4451943 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL5079745 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL4448184 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL1398009 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL4447911 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2
SCHEMBL1618846 1.00 ABCB1 (0.34) ABCB1MEN1KMT2ALMNACYP1A2

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
US-20090036530-A1 Crystalline acid of lipoxin A4 analogs and method of making BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 US claimed
US-20080182901-A1 Crystalline acid of lipoxin A4 analogs and method of making BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-31 US claimed
US-20090036530-A1 Crystalline acid of lipoxin A4 analogs and method of making BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 US disclosed
US-20080182901-A1 Crystalline acid of lipoxin A4 analogs and method of making BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-31 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-20090036530-A1 Crystalline acid of lipoxin A4 analogs and method of making LTA4H, LTB4R2, ALOX5 ABCB1 4643/4885MEN1 4296/4885KMT2A 4792/4885
US-20080182901-A1 Crystalline acid of lipoxin A4 analogs and method of making LTA4H, LTB4R2, ALOX5 ABCB1 4643/4885MEN1 4296/4885KMT2A 4792/4885

“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.