SCHEMBL4607556

SCHEMBL4607556

C=CCC1(CC=C)c2cc(C=O)ccc2-c2ccc(C=O)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.32
PGR P06401 1/20 0.31
ALDH1A3 P47895 3/20 0.31
FDPS P14324 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP2A6 P11509 4/20 0.30

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
SCHEMBL14740499 0.92 PGR (0.41) ALDH1A1KDM4EPTGS2RAB9APGR
SCHEMBL1928893 0.74 PDK2 (0.43) RAB9ATSHRPGRSMN1; SMN2
SCHEMBL1571002 0.74 PDK2 (0.38) ALDH1A1KDM4EPGR
SCHEMBL1929731 0.74 TDP2 (0.33) PGR
SCHEMBL1927377 0.74 AKR1B1 (0.39) PGR
SCHEMBL28058189 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EPTGS2RAB9ATSHR
SCHEMBL3361417 0.71 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL14427937 0.71 ALK (0.41) ALDH1A1KDM4EPTGS2RAB9ATSHR
SCHEMBL12982458 0.71 PDK2 (0.38) ALDH1A1TSHRPGRALDH1A3
SCHEMBL29588873 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EPTGS2RAB9ATSHR

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-7439537-B2 Divinylfluorenes AGFA GRAPHICS, N.V. (BE) 2008-10-21 US disclosed
EP-1621598-B1 Divinylfluorenes. AGFA GRAPHICS NV (BE) 2008-01-02 EP disclosed
US-20060022193-A1 Divinylfluorenes AGFA-GEVAERT (BE) 2006-02-02 US disclosed
EP-1621598-A1 Divinylfluorenes. Agfa-Gevaert (BE) 2006-02-01 EP 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-20060022193-A1 Divinylfluorenes DNER, DLK1, TRPA1 ALDH1A1 1203/4885KDM4E 3272/4885PTGS2 1321/4885

“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.