SCHEMBL1555057

SCHEMBL1555057

Cc1ccc(OB(OCCNC2CCCCC2)Oc2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ FOXM1 Q08050 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL14503440 0.81 SIGMAR1 (0.43) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1555889 0.74 DRD2 (0.48) CYP1A2CYP2C19ALDH1A1SMN1; SMN2HTT
SCHEMBL1554913 0.74 DRD2 (0.54) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1554924 0.74 KDM4E (0.40) KDM4ECYP1A2CYP2C19ALDH1A1DRD2
SCHEMBL1555855 0.74 DRD2 (0.40) KDM4ECYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1554336 0.72 DRD4 (0.52) KDM4EDRD2DRD4DRD3
SCHEMBL23640032 0.71 KDM4E (0.64) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1555055 0.71 HTT (0.43) KDM4ECYP2D6ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL1555898 0.68 NPC1 (0.41) KDM4EALDH1A1SIGMAR1NPC1DRD3
SCHEMBL11688081 0.68 POLB (0.57) KDM4EALDH1A1SMN1; SMN2HTTNPC1

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 KDM4E 3753/4885CYP1A2 203/4885CYP2D6 164/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 KDM4E 4858/4885CYP1A2 4066/4885CYP2D6 4626/4885

“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.

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