SCHEMBL4520641

SCHEMBL4520641

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.40
MELK Q14680 1/20 0.35
ALOX15 P16050 2/20 0.33
VCAM1 P19320 2/20 0.33
ALOX12 P18054 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL4519091 0.83 VCAM1 (0.33) ALOX15VCAM1ALOX12APPALDH1A1
SCHEMBL4525918 0.83 MAPT (0.39) ALOX15VCAM1ALOX12APPALDH1A1
SCHEMBL4519234 0.82 TSHR (0.44) ALDH1A1TSHRCYP3A4ABCB11ADORA3
SCHEMBL4524383 0.81 PDK1 (0.33) P2RY6ALOX15VCAM1ALOX12APP
SCHEMBL310853 0.77 ALDH1A1 (0.46) P2RY6ALOX15ALDH1A1MAPTCYP3A4
SCHEMBL17471721 0.77 TSHR (0.47) P2RY6ALDH1A1MAPTTSHRCYP3A4
SCHEMBL29199363 0.77 P2RY6 (0.43) P2RY6MELKVCAM1ALDH1A1MAPT
SCHEMBL1063282 0.77 TDP1 (0.50) P2RY6MELKALOX15ALDH1A1MAPT
SCHEMBL4531614 0.76 FFAR1 (0.39) P2RY6MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL32681308 0.76 ERN1 (0.40) ALOX12ALDH1A1MAPTCYP3A4LMNA

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 P2RY6 3631/4885MELK 2625/4885ALOX15 1821/4885

“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.