SCHEMBL1554864

SCHEMBL1554864

Cc1cc(Cl)ccc1OB(OCCN)Oc1ccc(Cl)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SCN4A P35499 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 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
SCHEMBL3525710 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ETP53ALOX15MEN1
SCHEMBL1555318 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL5373824 0.77 KDM4E (0.43) ALDH1A1KDM4ETP53ALOX15MEN1
SCHEMBL14503443 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ETP53ALOX15MEN1
SCHEMBL5377192 0.73 MAOB (0.40) ALDH1A1KDM4EALOX15MEN1KMT2A
SCHEMBL1555917 0.72 KMT2A (0.49) ALDH1A1KDM4ETP53MEN1KMT2A
SCHEMBL1555855 0.72 DRD2 (0.40) ALDH1A1KDM4EALOX15MEN1KMT2A
SCHEMBL5372565 0.71 WDR5 (0.41) ALDH1A1KDM4EALOX15MEN1KMT2A
SCHEMBL12270713 0.71 ALDH1A1 (0.41) ALDH1A1KDM4ETP53ALOX15MEN1
SCHEMBL4489583 0.71 TSHR (0.49) ALDH1A1KDM4ETP53ALOX15MEN1

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 7 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-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2012-12-13 US disclosed
WO-2011050095-A2 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2011-04-28 WO disclosed
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 (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-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) CHAT, ACHE, BCHE ALDH1A1 350/4885KDM4E 3753/4885TP53 1318/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 ALDH1A1 4003/4885KDM4E 4858/4885TP53 3660/4885

“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.