Benzoin

Benzoin

SCHEMBL6201105

O=C(c1ccc(F)cc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.78
LMNA P02545 6/20 0.78
CES1 P23141 5/20 0.78
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALPG P10696 1/20 0.49
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.44

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
SCHEMBL4020285 0.98 CES2 (0.74) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL6836825 0.94 CES2 (0.74) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL6199979 0.91 LMNA (0.64) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL15680018 0.88 CES2 (0.63) CES2LMNACES1ALDH1A1KDM4E
SCHEMBL5444935 0.88 CES2 (0.63) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL901258 0.88 CES2 (1.00) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL10665271 0.88 CES2 (1.00) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL145 0.88 CES2 (1.00) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL2025536 0.88 CES2 (1.00) CES2LMNACES1ALDH1A1KDM4E
Benzoin SCHEMBL5833429 0.88 CES2 (1.00) CES2LMNACES1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425283-B1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-03-16 EP disclosed
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 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-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP CES2 2864/4885LMNA 4528/4885CES1 2522/4885

“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.