SCHEMBL4681683

SCHEMBL4681683

COC(=O)c1cc2c(cc1-c1ccccc1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
EGFR P00533 1/20 0.40
FABP3 P05413 2/20 0.40
FABP4 P15090 2/20 0.40

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
SCHEMBL4684053 0.85 FABP4 (0.48) NPC1RAB9AFABP3FABP4FABP5
SCHEMBL14848072 0.78 NPC1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12121707 0.78 GABRA1 (0.62) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL30788044 0.76 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL29588474 0.76 KDM4E (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL24824152 0.76 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL24469644 0.76 KDM4E (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4037029 0.75 FABP4 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL22256438 0.75 KMT2A (0.50) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL22256426 0.75 KMT2A (0.50) ALDH1A1KDM4EGABRA1GABRG2GABRB3

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
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 ALDH1A1 622/4885KDM4E 2614/4885GABRA1 1986/4885

“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.