SCHEMBL3026540

SCHEMBL3026540

[CH2]CCCCCc1ccccc1NC(=O)C(C)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SLC16A3 O15427 10/20 0.43
POLB P06746 2/20 0.41
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CETP P11597 1/20 0.38
TSHR P16473 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL7473218 0.83 SLC16A3 (0.49) SLC16A3POLBALDH1A1TSHR
SCHEMBL7463265 0.80 POLB (0.54) SLC16A3POLBALDH1A1TAS1R3TAS1R1
SCHEMBL8962002 0.79 L3MBTL1 (0.53) L3MBTL1POLBMDM4TP53ALDH1A1
SCHEMBL27406644 0.79 SLC16A3 (0.47) SLC16A3POLBALDH1A1
SCHEMBL7471260 0.78 SLC16A3 (0.47) SLC16A3POLBALDH1A1
SCHEMBL11194905 0.75 CETP (0.49) L3MBTL1SLC16A3POLBCETPTSHR
SCHEMBL3554752 0.73 SLC16A3 (0.68) L3MBTL1SLC16A3MDM4TP53CETP
SCHEMBL3026316 0.72 HDAC3 (0.58) L3MBTL1POLBCETPTSHR
SCHEMBL15094109 0.71 POLB (0.60) SLC16A3POLBTAS1R3TAS1R1
SCHEMBL15093870 0.71 POLB (0.60) SLC16A3POLBTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 L3MBTL1 502/4885SLC16A3 2894/4885POLB 4226/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 L3MBTL1 2115/4885SLC16A3 3650/4885POLB 4281/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 L3MBTL1 2478/4885SLC16A3 3783/4885POLB 4346/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 L3MBTL1 533/4885SLC16A3 3429/4885POLB 3851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 L3MBTL1 1465/4885SLC16A3 3453/4885POLB 2808/4885

“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.