SCHEMBL1373497

SCHEMBL1373497

CCCN(C)C(=O)CCOCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
THRA P10827 1/20 0.37
EPHX2 P34913 2/20 0.36
CNR1 P21554 1/20 0.36
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.34
DNM1 Q05193 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
BBOX1 O75936 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL1373915 0.90 NR1I2 (0.36) ALDH1A1THRAEPHX2CNR1HPGD
SCHEMBL1377069 0.86 TSHR (0.42) ALDH1A1TSHRTHRAEPHX2CNR1
SCHEMBL1373151 0.85 CES2 (0.43) ALDH1A1TSHRTHRAEPHX2CNR1
SCHEMBL1373191 0.83 CES2 (0.46) ALDH1A1THRAEPHX2CNR1THRB
SCHEMBL16467097 0.83 HSD17B10 (0.34) ALDH1A1EPHX2CNR1HPGDDNM1
SCHEMBL1377045 0.83 ALDH1A1 (0.39) ALDH1A1EPHX2CNR1HPGDDNM1
SCHEMBL1375732 0.83 ALDH1A1 (0.41) ALDH1A1TSHRTHRATHRBCA12
SCHEMBL16355252 0.82 THRA (0.38) ALDH1A1TSHRTHRAEPHX2CNR1
SCHEMBL1376896 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTHRAHPGDTHRB
SCHEMBL12209818 0.80 ALDH1A1 (0.42) ALDH1A1TSHREPHX2CNR1HPGD

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-20150119604-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-04-30 US disclosed
EP-2837619-A1 METHOD FOR PRODUCING BETA -ALKOXYPROPIONAMIDE Idemitsu Kosan Co., Ltd (JP) 2015-02-18 EP disclosed
US-8563495-B2 Resist remover composition and method for removing resist using same IDEMITSU KOSAN CO., LTD. (JP) 2013-10-22 US disclosed
US-20110287995-A1 RESIST REMOVER COMPOSITION AND METHOD FOR REMOVING RESIST USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 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-20150119604-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE HACL2, APEH, NAAA ALDH1A1 448/4885TSHR 1284/4885THRA 540/4885

“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.