SCHEMBL5583677

SCHEMBL5583677

O=C(O)CCC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.58
NR4A2 P43354 1/20 0.52
ALDH1A1 P00352 4/20 0.50
AKR1B1 P15121 1/20 0.50
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP5 P45974 1/20 0.43
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL28166467 0.81 FEN1 (0.71) FEN1ALDH1A1AKR1B1KMT2ATSHR
SCHEMBL5996812 0.79 FEN1 (0.53) FEN1ALDH1A1AKR1B1KMT2ASMN1; SMN2
SCHEMBL19494060 0.79 FEN1 (0.53) FEN1ALDH1A1AKR1B1KMT2ASMN1; SMN2
SCHEMBL27926380 0.79 FEN1 (0.53) FEN1ALDH1A1AKR1B1CYP2C19KMT2A
SCHEMBL10120278 0.79 ERCC5 (0.62) FEN1NR4A2ALDH1A1AKR1B1GAA
SCHEMBL10576213 0.78 ERCC5 (0.59) FEN1NR4A2ALDH1A1GAACYP2C19
SCHEMBL11701099 0.77 NR4A2 (0.46) FEN1NR4A2ALDH1A1AKR1B1GAA
SCHEMBL11702836 0.77 ALDH1A1 (0.56) NR4A2ALDH1A1AKR1B1GAACYP2C19
SCHEMBL6930314 0.76 TYK2 (0.54) NR4A2ALDH1A1GAACYP2C19KMT2A
SCHEMBL12431212 0.76 FEN1 (0.59) FEN1ALDH1A1AKR1B1KMT2ALMNA

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-7193108-B2 Phenylpropionic acid derivatives AJINOMOTO CO., INC. (JP) 2007-03-20 US disclosed
US-7193108-B2 Phenylpropionic acid derivatives AJINOMOTO CO., INC. (JP) 2007-03-20 US disclosed
US-7193108-B2 Phenylpropionic acid derivatives AJINOMOTO CO., INC. (JP) 2007-03-20 US disclosed
US-20040236147-A1 Phenylpropionic acid derivatives AJINOMOTO CO. INC (JP) 2004-11-25 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-20040236147-A1 Phenylpropionic acid derivatives VCAM1, ICAM1, SELP FEN1 4400/4885NR4A2 1226/4885ALDH1A1 926/4885

“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.