SCHEMBL5113336

SCHEMBL5113336

N#CCc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
ALOX5 P09917 1/20 0.41
MAOB P27338 3/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6753358 0.82 SLC2A1 (0.50) L3MBTL1ALOX5
SCHEMBL6627314 0.81 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL6915950 0.79 MAOB (0.53) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL6753374 0.78 ALDH1A1 (0.41) MAPTSMN1; SMN2MAPK1LMNAHPGD
SCHEMBL6753021 0.77 SLC2A1 (0.50) L3MBTL1CYP2C9
SCHEMBL3295010 0.77 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL5113606 0.77 TDP1 (0.53) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8876872 0.77 SMN1; SMN2 (0.54) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL17188139 0.76 ALOX5 (0.56) NPC1ALOX5MAOBMEN1CYP3A4
SCHEMBL9748801 0.75 LTA4H (0.50) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
US-6710200-B2 USING REPORTER MOLECULE DERIVATIVE HAVING ALDEHYDE OR KETONE GROUP DETECTABLE BY FLUORESCENCE EMISSION, ULTRAVIOLET RADIATION, ABSORPTIVITY OR COLORIMETRIC ANALYSIS; REARRANGEMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-03-23 US disclosed
WO-2003104167-A2 CYANOHYDRIN ETHERS AND ESTERS AS HIGH-SENSITIVITY ENZYME SUBSTRATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-18 WO disclosed
US-20030207344-A1 Cyanohydrin ethers and esters as high-sensitivity enzyme substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-11-06 US disclosed
US-6528675-B1 Spectrophotometrically active moieties; detecting, monitoring, and measuring activity of enzymes that cause cleavage of certain substrates; wider band width, simpler and less costly optics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-03-04 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 (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-20030207344-A1 Cyanohydrin ethers and esters as high-sensitivity enzyme substrates HPD, BCKDK, PCK1 NPC1 3867/4885RAB9A 4819/4885MAPT 4290/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 NPC1 2819/4885RAB9A 3734/4885MAPT 4642/4885

“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.