Sugi Predict

Sugi Predict / Compounds / SCHEMBL4036898

SCHEMBL4036898

SCHEMBL4036898

C=CCCCOC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ SLC2A1 P11166 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ LPAR3 Q9UBY5 2/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31
▸ PRKCA P17252 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3933992 0.98 NPC1 (0.44) NPC1SLC2A1ALDH1A1TSHRNAAA
SCHEMBL3946956 0.98 NPC1 (0.44) NPC1SLC2A1ALDH1A1TSHRNAAA
SCHEMBL3943006 0.96 NPC1 (0.36) NPC1SLC2A1ALDH1A1TSHRLPAR3
SCHEMBL31267671 0.94 NPC1 (0.39) NPC1SLC2A1ALDH1A1TSHRNAAA
SCHEMBL3943932 0.93 — —
SCHEMBL31267589 0.92 NPC1 (0.42) NPC1SLC2A1ALDH1A1TSHRNAAA
SCHEMBL8116098 0.84 NPC1 (0.47) NPC1
SCHEMBL28459723 0.83 SLC2A1 (0.37) SLC2A1ALDH1A1TSHRLPAR3LPAR2
SCHEMBL3191817 0.83 SLC2A1 (0.33) SLC2A1ALDH1A1TSHRCHRNB2CHRNA7
SCHEMBL31618664 0.82 CHRM2 (0.34) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 — — US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 — — US disclosed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 — — US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 — — US disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 — — EP disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 — — EP disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 — — EP disclosed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 — — US disclosed
US-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AG (DE) 2008-11-06 — — US disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 — — EP disclosed
US-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 — — US disclosed
EP-1975159-A1 2,3,4,9-Tetrahydro-1H-carbazoles Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-01 — — EP disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US disclosed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 — — EP disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 — — US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 — — EP disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 — — EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US 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 (10 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-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES FSHR, GNRHR, CYP19A1 NPC1 3892/4885SLC2A1 4694/4885ALDH1A1 2820/4885
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 NPC1 1531/4885SLC2A1 3749/4885ALDH1A1 3116/4885
US-20080255117-A1 SULFONYLTRYPTOPHANOLS FSHR, NPY1R, GNRHR NPC1 3176/4885SLC2A1 2417/4885ALDH1A1 4169/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 NPC1 2711/4885SLC2A1 4017/4885ALDH1A1 2416/4885
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT NPC1 2639/4885SLC2A1 3411/4885ALDH1A1 4226/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 NPC1 2801/4885SLC2A1 4126/4885ALDH1A1 3513/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R NPC1 2904/4885SLC2A1 3133/4885ALDH1A1 3830/4885
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 NPC1 1979/4885SLC2A1 3528/4885ALDH1A1 2364/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 NPC1 2833/4885SLC2A1 3584/4885ALDH1A1 388/4885
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR NPC1 4244/4885SLC2A1 3925/4885ALDH1A1 1026/4885

“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.