SCHEMBL12224082

SCHEMBL12224082

CC/C=C(/C)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 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
SCHEMBL14604994 1.00 CES2 (0.43) CES2CES1GAAALDH1A1ALOX15
SCHEMBL28218599 0.82 CES2 (0.42) CES2CES1GAAALDH1A1ALOX15
SCHEMBL28370184 0.79 CES2 (0.50) CES2CES1GAAALDH1A1ALOX15
SCHEMBL4787890 0.79 CES2 (0.50) CES2CES1GAAALDH1A1ALOX15
SCHEMBL6920215 0.79 CES2 (0.50) CES2CES1GAAALDH1A1ALOX15
SCHEMBL10580310 0.78 KMT2A (0.47) GAAALDH1A1ALOX15KDM4ELMNA
SCHEMBL11769972 0.78 KMT2A (0.47) GAAALDH1A1ALOX15KDM4ELMNA
SCHEMBL14605003 0.77 CES2 (0.47) CES2CES1
SCHEMBL781239 0.77 GAA (0.43) CES2CES1GAAALDH1A1ALOX15
SCHEMBL19931867 0.76 ALDH1A1 (0.46) GAAALDH1A1ALOX15KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 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-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CES2 2196/4885CES1 4017/4885GAA 3525/4885

“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.