SCHEMBL3667533

SCHEMBL3667533

COC(=O)CCCCCNC(=O)c1cc(-c2ccccc2)oc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
DGAT1 O75907 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 2/20 0.45

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
SCHEMBL3664770 1.00 ALDH1A1 (0.53) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL3664437 0.82 ALDH1A1 (0.47) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL13753348 0.78 ALDH1A1 (0.59) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL17652637 0.77 HIF1A (0.73) HPGDLMNAKMT2ACYP1A2CYP2C19
SCHEMBL449968 0.77 HDAC3 (0.51) ALDH1A1HPGDLMNASMN1; SMN2HDAC1
SCHEMBL26282713 0.76 SMN1; SMN2 (0.62) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL14434229 0.76 KDM4E (0.57) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL3667325 0.76 HDAC6 (0.49) ALDH1A1LMNAL3MBTL1SMN1; SMN2HDAC1
SCHEMBL3666029 0.76 HDAC6 (0.49) ALDH1A1LMNAL3MBTL1SMN1; SMN2HDAC1
SCHEMBL12672001 0.75 NAAA (0.67) ALDH1A1LMNASMN1; SMN2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
EP-2240461-A1 SUBSTITUTED FURANS AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO 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-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE XDH, TXN2, FABP3 ALDH1A1 424/4885HPGD 134/4885MAPT 4648/4885

“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.