SCHEMBL5377022

SCHEMBL5377022

Cc1cccc(OB(OCCN)Oc2cccc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
TRPM2 O94759 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5372565 0.80 WDR5 (0.41) ALDH1A1TAAR1DRD2DRD4LMNA
SCHEMBL1986162 0.80 ACHE (0.60) ACHEALDH1A1GAADRD2DRD4
SCHEMBL31692766 0.80 ACHE (0.60) ACHEALDH1A1GAADRD2DRD4
SCHEMBL31532260 0.80 ACHE (0.60) ACHEALDH1A1GAADRD2DRD4
SCHEMBL465983 0.78 TAAR1 (0.54) ALDH1A1TAAR1TDP1SMN1; SMN2KDM4E
SCHEMBL6660834 0.77 TAAR1 (0.52) ALDH1A1TAAR1TDP1SMN1; SMN2KDM4E
SCHEMBL7408051 0.77 TAAR1 (0.57) ACHETAAR1DRD2DRD4LMNA
SCHEMBL30230126 0.77 TAAR1 (0.57) ACHETAAR1DRD2DRD4LMNA
SCHEMBL5373777 0.76 TAAR1 (0.45) TAAR1LMNAL3MBTL1KDM4ETSHR
SCHEMBL1554330 0.75 AGXT (0.50) ALDH1A1TAAR1GAATDP1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 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-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 ACHE 553/4885ALDH1A1 4003/4885TAAR1 2077/4885

“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.