SCHEMBL5079892

SCHEMBL5079892

CCC(NCCc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 1/20 0.45
MDM2 Q00987 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
EPHX2 P34913 2/20 0.43
KDM4A O75164 1/20 0.43
TSHR P16473 2/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL5082297 0.94 ALDH1A1 (0.45) POLBOPRK1SIGMAR1LMNANPC1
SCHEMBL27849653 0.85 POLB (0.53) POLBOPRK1SIGMAR1NPC1RAB9A
SCHEMBL27586127 0.84 KMT2A (0.54) POLBSIGMAR1LMNAMDM2KMT2A
SCHEMBL5082438 0.81 SIGMAR1 (0.53) OPRK1SIGMAR1MDM2NPC1RAB9A
SCHEMBL28190506 0.76 LMNA (0.49) POLBLMNAMDM2NPC1RAB9A
SCHEMBL6321040 0.76 HAT1 (0.54)
SCHEMBL5082809 0.76 KMT2A (0.48) POLBOPRK1SIGMAR1LMNAALDH1A1
SCHEMBL4332252 0.75 LMNA (0.47) POLBLMNAMDM2NPC1RAB9A
SCHEMBL4363235 0.74 SIGMAR1 (0.57) SIGMAR1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL7469306 0.73 GGT1 (0.54) OPRK1SIGMAR1LMNAALDH1A1KMT2A

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
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 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-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C POLB 495/4885OPRK1 21/4885SIGMAR1 551/4885

“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.