SCHEMBL1454886

SCHEMBL1454886

CC[C](C)N(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL6909714 0.79 FAAH (0.47) ALDH1A1KMT2ATSHRHTTNPC1
SCHEMBL9503677 0.77 NPSR1 (0.43) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL7527862 0.74 ALDH1A1 (0.52) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL2781437 0.74 ALDH1A1 (0.63) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL28826986 0.74 NPSR1 (0.44) NPSR1ALDH1A1KMT2ATSHRHTT
Hydrochloric Acid SCHEMBL27517470 0.73 ALDH1A1 (0.61) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL3285598 0.71 NPSR1 (0.47) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL24098327 0.71 NPSR1 (0.41) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL7521817 0.70 ALDH1A1 (0.58) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL741752 0.70 NPSR1 (0.64) NPSR1ALDH1A1KMT2ATSHRHTT

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-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 — — US disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 — — US disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 — — 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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 NPSR1 2991/4885ALDH1A1 62/4885KMT2A 400/4885

“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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