SCHEMBL6540144

SCHEMBL6540144

CC(C)(Oc1ccccc1[C]=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNN4 O15554 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
FFAR1 O14842 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6222483 0.81 KCNH2 (0.34) ALDH1A1KDM4EHSD17B10FFAR1
SCHEMBL9707204 0.73 MAPK1 (0.52) MAPK1ALDH1A1ALOX15KDM4EKMT2A
SCHEMBL96814 0.73 FFAR1 (0.46) ALDH1A1KDM4EFFAR1
SCHEMBL28586820 0.73 LMNA (0.52) MAPK1ALDH1A1ALOX15KMT2ACYP2C19
SCHEMBL28101262 0.72 MAPK1 (0.50) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL27210420 0.72 ALDH1A1 (0.52) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL30597291 0.71 KDM4E (0.53) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL4442258 0.71 KDM4E (0.53) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL11408980 0.70 MAPK1 (0.48) MAPK1ALDH1A1ALOX15
SCHEMBL17103447 0.70 FFAR1 (0.35) FFAR1

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 4 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
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 MAPK1 1483/4885ALDH1A1 578/4885ALOX15 2369/4885

“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.