SCHEMBL4525918

SCHEMBL4525918

CC(O)c1cc(C#CCCCC#N)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
VCAM1 P19320 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KAT2B Q92831 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.31
CTSB P07858 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
MMP2 P08253 2/20 0.31
EGFR P00533 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4520641 0.83 P2RY6 (0.40) MAPTVCAM1ALDH1A1LMNAHPGD
SCHEMBL4520080 0.82 MAPT (0.35) MAPTVCAM1KAT2BALDH1A1LMNA
SCHEMBL4519091 0.78 VCAM1 (0.33) MAPTVCAM1ALDH1A1LMNAHPGD
SCHEMBL4519234 0.77 TSHR (0.44) NPC1RAB9AALDH1A1KDM4ECYP3A4
SCHEMBL4524383 0.76 PDK1 (0.33) MAPTVCAM1ALDH1A1LMNACTSB
SCHEMBL15483728 0.72 VCAM1 (0.46) MAPTVCAM1RAB9AKAT2BALDH1A1
SCHEMBL4519930 0.71 FFAR1 (0.42) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL30581557 0.71 PRKCA (0.38) MMP2
SCHEMBL4531614 0.71 FFAR1 (0.39) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL32681308 0.71 ERN1 (0.40) MAPTNPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566773-B2 Photolabile compound and substrate for oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-07-28 US disclosed
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same SAMSUNG ELECTRONICS CO., LTD (KR) 2008-03-06 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-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same APBA1, B3GNT2, PCNA MAPT 92/4885VCAM1 1192/4885NPC1 3839/4885

“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.