SCHEMBL374208

SCHEMBL374208

O=C(OC1(CCO)CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL374008 0.86 LMNA (0.47) LMNAF2ALDH1A1TDP1TSHR
SCHEMBL17319429 0.85 LMNA (0.50) LMNAF2ALDH1A1TDP1TSHR
SCHEMBL28155395 0.78 LMNA (0.46) LMNAF2TDP1TSHRKMT2A
SCHEMBL373966 0.77 LMNA (0.40) LMNAF2ALDH1A1TDP1TSHR
SCHEMBL27972253 0.75 CTSK (0.44) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL3671321 0.75 LMNA (0.46) LMNAF2ALDH1A1TDP1TSHR
SCHEMBL3267939 0.74 CETP (0.43) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL9618428 0.73 LMNA (0.45) LMNAF2ALDH1A1TDP1TSHR
SCHEMBL5325877 0.73 ALDH1A1 (0.46) LMNAALDH1A1TSHRTP53MAPT
SCHEMBL27841792 0.73 CETP (0.44) LMNAALDH1A1TSHRKMT2ASMN1; SMN2

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
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 LMNA 2566/4885F2 4709/4885ALDH1A1 2796/4885

“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.