Sugi Predict

Sugi Predict / Compounds / SCHEMBL1454071

SCHEMBL1454071

SCHEMBL1454071

CC(CCSc1ccccc1)Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ MTNR1A P48039 4/20 0.41
▸ MTNR1B P49286 4/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ FFAR1 O14842 1/20 0.36

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
SCHEMBL28429142 0.89 ALDH1A1 (0.50) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL28429798 0.82 HPGD (0.46) ALDH1A1MAPK1MAOAMAOBCYP1A2
SCHEMBL638290 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL28023565 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL8387097 0.79 MAOA (0.61) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL1454709 0.79 MAOA (0.41) ALDH1A1MAPK1MAOAMAOBSMN1; SMN2
SCHEMBL9476134 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL1540052 0.78 MAOA (0.64) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL8839825 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL1540090 0.78 MAOA (0.64) ALDH1A1MAPK1MAOAMAOBMTNR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112535277-A Oligosaccharide composition used as food ingredient and its preparation method 卡德纳生物股份有限公司 2021-03-23 — — CN disclosed
CN-112515178-A Oligosaccharide composition for nutritional composition and method for producing the same 卡德纳生物股份有限公司 2021-03-19 — — CN disclosed
CN-111471117-A Oligosaccharide composition and preparation method thereof 卡德纳生物有限公司 2020-07-31 — — CN disclosed
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 ALDH1A1 62/4885MAPK1 268/4885MAOA 2055/4885

“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.