SCHEMBL13239261

SCHEMBL13239261

Cc1cc(-c2ccc(Br)cc2F)cc(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
DGAT1 O75907 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
NMUR2 Q9GZQ4 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.32
AR P10275 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
SCHEMBL14945929 0.91 ALOX5AP (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL31116992 0.82 ALOX5AP (0.47) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL1814767 0.79 ALOX5AP (0.49) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL29448266 0.79 ALOX5AP (0.49) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL18973378 0.79 PDE3B (0.40) AKR1C3AKR1C2PDE3BPDE3AAKR1B10
SCHEMBL13239270 0.76 PTGES2 (0.37) AKR1C3AKR1C2PDE3BPDE3APTGS2
SCHEMBL15341611 0.76 FEN1 (0.54) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL9223676 0.76 ALOX5AP (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL30665731 0.75 ALOX5AP (0.45) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL12198995 0.75 ALOX5AP (0.45) ALOX5APFEN1MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-7732021-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-7635505-B2 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2009-12-22 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-20080277623-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-20080128653-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-06-05 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-20080277623-A1 Liquid Crystalline Medium CHRM1, NEFM, CCNT1 ALOX5AP 4134/4885FEN1 4036/4885MMP1 370/4885

“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.