SCHEMBL5550263

SCHEMBL5550263

Cc1cc(N(C)CCO)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.53
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAP4K4 O95819 2/20 0.38
ESR1 P03372 2/20 0.37
AR P10275 1/20 0.37
ESR2 Q92731 1/20 0.37
APP P05067 1/20 0.36
EGFR P00533 1/20 0.36
SKP2 Q13309 1/20 0.36
APAF1 O14727 1/20 0.36
MEN1 O00255 1/20 0.35

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
Sulfuric Acid SCHEMBL8171145 0.92 S100B (0.46) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL5502903 0.90 S100B (0.50) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL10955324 0.89 S100B (0.60) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL29740664 0.89 S100B (0.60) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL5500237 0.88 S100B (0.49) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL6389523 0.84 S100B (0.45) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL16003239 0.84 S100B (0.55) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL30491146 0.84 S100B (0.65) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL33756 0.84 S100B (0.65) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL16104767 0.82 EGFR (0.39) S100BALDH1A1TDP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9005923-A None JP disclosed
US-RE48140-E1 Furanone derivative CARNA BIOSCIENCES, INC. (JP) 2020-08-04 US disclosed
EP-2692728-B1 NOVEL FURANONE DERIVATIVE CARNA BIOSCIENCES INC (JP) 2018-07-04 EP disclosed
US-RE46815-E1 Furanone derivative CARNA BIOSCIENCES, INC. (JP) 2018-05-01 US disclosed
US-8742113-B2 Furanone derivative SBI BIOTECH CO., LTD. (JP) 2014-06-03 US disclosed
EP-2692728-A1 NOVEL FURANONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2014-02-05 EP disclosed
US-20140018533-A1 NOVEL FURANONE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2014-01-16 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
JP-H095923-A SILVER HALIDE COLOR PHOTOGRAPHIC SENSITIVE MATERIAL AND IMAGE FORMING METHOD FUJI PHOTO FILM CO LTD 1997-01-10 JP disclosed
US-5158892-A Antifogging agent FUJI PHOTO FILM CO., LTD. (JP) 1992-10-27 US disclosed
US-5021067-A Rapid oxidation dyes for darkening hair; 5,6-dioxyindole derivatives L'OREAL (FR) 1991-06-04 US disclosed
US-4295853-A EXTRACTING LIPOPEROXIDE FROM BLOOD OR SERUM, OXIDIZABLE COLOR REAGENT, COMPOUND OF MULTIVALENT METAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-20 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 (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-20140018533-A1 NOVEL FURANONE DERIVATIVE CYP11B1, OXER1, CYP11B2 S100B 4622/4885ALDH1A1 345/4885TDP1 2903/4885

“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.