SCHEMBL6539852

SCHEMBL6539852

O=C(OCc1ccccc1)c1ccc(OC2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
TDP1 Q9NUW8 2/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
LMNA P02545 3/20 0.59
EPHX2 P34913 3/20 0.58
FAAH O00519 1/20 0.58
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL19381880 0.99 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL664009 0.89 EPHX2 (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL663364 0.88 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL14487845 0.86 CHRNB2 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10147938 0.84 EPHX2 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL240105 0.84 EPHX2 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL665140 0.84 EPHX2 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL662856 0.83 FAAH (0.51) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.80 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL662333 0.79 EPHX2 (0.52) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
CN-1423647-A Beta-alanine derivatives and their use as receptor antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-11 CN disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB KMT2A 2770/4885TDP1 4505/4885SLC6A2 125/4885

“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.