SCHEMBL4519930

SCHEMBL4519930

CC(O)c1cc(C#CC2=CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 3/20 0.33
GRM5 P41594 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP2C9 P11712 1/20 0.30
THRB P10828 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
SCHEMBL4519234 0.77 TSHR (0.44) FFAR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL4531614 0.74 FFAR1 (0.39) FFAR1NPC1RAB9AMAPTCYP1A2
SCHEMBL4524383 0.74 PDK1 (0.33) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL4520641 0.74 P2RY6 (0.40) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL13520581 0.73 FFAR1 (0.52) FFAR1NPC1RAB9AATMALDH1A1
SCHEMBL4519928 0.73 MAPT (0.33) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL4524088 0.72 ACACB (0.44) ALDH1A1MEN1KMT2A
SCHEMBL4525918 0.71 MAPT (0.39) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL32681308 0.71 ERN1 (0.40) FFAR1NPC1RAB9AALDH1A1MAPT
SCHEMBL4519091 0.71 VCAM1 (0.33) ALDH1A1MAPTGRM5

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 FFAR1 4587/4885NPC1 3839/4885RAB9A 4580/4885

“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.