SCHEMBL5740679

SCHEMBL5740679

O=C(O)c1ccc2c(=O)c3c(sc2c1)CCCCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCC2 Q92887 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 2/20 0.40
NOD1 Q9Y239 2/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
FABP4 P15090 1/20 0.38
GRIN2C Q14957 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 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
SCHEMBL6689643 0.99 ABCC1 (0.41) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5756239 0.82 TNF (0.34) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5756237 0.82 TDP1 (0.34) ALDH1A1RAB9AMEN1KMT2ATDP1
SCHEMBL5756243 0.82 TDP1 (0.34) ALDH1A1RAB9AMEN1KMT2ATDP1
SCHEMBL5740682 0.80 PTGS2 (0.38) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL6689646 0.78 PTGS2 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL5741304 0.78 HSD17B10 (0.44) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5741839 0.78 RXRA (0.37) RAB9ANPC1FABP4
SCHEMBL28456554 0.77 TTR (0.49) ALDH1A1RAB9ANPC1TDP1L3MBTL1
SCHEMBL5739664 0.75 PTGER4 (0.42) ALDH1A1RAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA ALDH1A1 1088/4885RAB9A 3368/4885MEN1 4576/4885

“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.