SCHEMBL6539581

SCHEMBL6539581

COc1ccc(/C(=C/c2ccc(CCOCc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAOB P27338 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
GPR52 Q9Y2T5 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
ATM Q13315 1/20 0.44
AKR1C1 Q04828 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6207461 1.00 AKR1C3 (0.54) AKR1C3MAPTLMNATDP1L3MBTL1
SCHEMBL6540328 0.84 MAOB (0.56) MAPTLMNATDP1L3MBTL1NPC1
SCHEMBL4365600 0.80 ALDH1A1 (0.70) AKR1C3MAPTLMNANPC1RAB9A
SCHEMBL13950671 0.80 ALDH1A1 (0.70) AKR1C3MAPTLMNANPC1RAB9A
SCHEMBL4365603 0.80 ALDH1A1 (0.70) AKR1C3MAPTLMNANPC1RAB9A
SCHEMBL27615709 0.80 TDP1 (0.77) TDP1L3MBTL1NPC1RAB9AMEN1
SCHEMBL8338571 0.80 TDP1 (0.77) TDP1L3MBTL1NPC1RAB9AMEN1
SCHEMBL4539035 0.80 AKR1C3 (0.78) AKR1C3MAPTLMNAMEN1KMT2A
SCHEMBL8008137 0.80 AKR1C3 (0.78) AKR1C3MAPTLMNAMEN1KMT2A
SCHEMBL6208279 0.80 NPC1 (0.62) MAPTLMNATDP1L3MBTL1NPC1

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 AKR1C3 156/4885MAPT 4796/4885LMNA 2620/4885

“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.