SCHEMBL758495

SCHEMBL758495

C=C(C)CN[C@H](C(=O)O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
SLC7A5 Q01650 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TGFBR1 P36897 1/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MME P08473 1/20 0.31
SDCBP O00560 1/20 0.31
SDC2 P34741 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
SCHEMBL758494 1.00 SMN1; SMN2 (0.36) SMN1; SMN2PLA2G2APLA2G5SLC7A5ALDH1A1
SCHEMBL597202 0.83 SMN1; SMN2 (0.38) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL8375420 0.82 TDP1 (0.32)
SCHEMBL16041451 0.80 ALDH1A1 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL16041452 0.80 ALDH1A1 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL2561637 0.78 TGFBR1 (0.35) SMN1; SMN2SLC7A5ALDH1A1TGFBR1MAPT
SCHEMBL10879686 0.78 TGFBR1 (0.35) SMN1; SMN2SLC7A5ALDH1A1TGFBR1MAPT
SCHEMBL5074810 0.78 SMN1; SMN2 (0.40) SMN1; SMN2PLA2G2APLA2G5SLC7A5ALDH1A1
SCHEMBL5074809 0.78 SMN1; SMN2 (0.40) SMN1; SMN2PLA2G2APLA2G5SLC7A5ALDH1A1
SCHEMBL7401675 0.75 PLA2G2A (0.39) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1

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
US-20130060014-A1 SURFACE MODIFIED INORGANIC MATERIAL AND PRODUCING METHOD THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2013-03-07 US disclosed
EP-1917221-B1 SURFACE MODIFIED INORGANIC MATERIAL AND PRODUCING METHOD THEREOF UNIV YONSEI IACF (KR) 2012-03-21 EP disclosed
US-20090270590-A1 Surface Modified Inorganic Material and Producing Method Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2009-10-29 US disclosed
EP-1917221-A1 SURFACE MODIFIED INORGANIC MATERIAL AND PRODUCING METHOD THEREOF Industry-Academic Cooperation Foundation, Yonsei University (KR) 2008-05-07 EP disclosed
WO-2007024055-A1 SURFACE MODIFIED INORGANIC MATERIAL AND PRODUCING METHOD THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-03-01 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 (2 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-20090270590-A1 Surface Modified Inorganic Material and Producing Method Thereof ILK, ICMT, EPCAM SMN1; SMN2 3460/4885PLA2G2A 1201/4885PLA2G5 1779/4885
US-20130060014-A1 SURFACE MODIFIED INORGANIC MATERIAL AND PRODUCING METHOD THEREOF ILK, EPCAM, CD59 SMN1; SMN2 3564/4885PLA2G2A 1332/4885PLA2G5 2253/4885

“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.