SCHEMBL17255446

SCHEMBL17255446

O=Cc1ccc(OCc2ccccc2)c(OCCOCCOCCOCCOCCOCCOCCOCC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
TACR2 P21452 1/20 0.46
FDPS P14324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 3/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
POLB P06746 1/20 0.43
UBE2N P61088 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL15952102 0.83 TACR2 (0.60) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL29446267 0.82 TACR2 (0.62) ALDH1A1MAPTHPGDTACR2FDPS
SCHEMBL584489 0.82 TACR2 (0.62) ALDH1A1MAPTHPGDTACR2FDPS
SCHEMBL5217355 0.82 TACR2 (0.54) ALDH1A1TACR2SMN1; SMN2MAOAMAOB
SCHEMBL5222536 0.81 TACR2 (0.50) ALDH1A1MAPTTACR2SMN1; SMN2MAOA
SCHEMBL5217306 0.81 TACR2 (0.50) ALDH1A1MAPTHPGDTACR2SMN1; SMN2
SCHEMBL15953289 0.80 TACR2 (0.52) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL15952860 0.80 FDPS (0.60) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5213944 0.80 TACR2 (0.54) ALDH1A1MAPTTACR2FDPSSMN1; SMN2
SCHEMBL9077155 0.80 TACR2 (0.54) ALDH1A1MAPTTACR2FDPSSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944626-B1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE UNIV SHIGA MEDICAL SCIENCE (JP) 2018-10-10 EP disclosed
US-20150352232-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE SHIGA UNIVERSITY OF MEDICAL SCIENCE (JP) 2015-12-10 US disclosed
EP-2944626-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE Shiga University Of Medical Science (JP) 2015-11-18 EP 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-20150352232-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE TARDBP, FUS, SNCA ALDH1A1 4676/4885MAPT 4/4885CYP1A2 4841/4885

“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.