SCHEMBL3955438

SCHEMBL3955438

[C]#Cc1ccc(N(CC)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TSHR P16473 3/20 0.52
GFER P55789 2/20 0.52
MAPK1 P28482 2/20 0.52
PSMD14 O00487 1/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CNR2 P34972 2/20 0.42
TERT O14746 1/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 6/20 0.40
HPGD P15428 2/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL1735497 0.80 ALDH1A1 (0.74) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL15904643 0.78 PSMD14 (0.30) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL63804 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL195439 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL2902079 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL1099561 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL195134 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRGFERMAPK1
Hydrochloric Acid SCHEMBL8046149 0.77 ALDH1A1 (0.70) ALDH1A1L3MBTL1TSHRGFERMAPK1
Hydrochloric Acid SCHEMBL8046146 0.77 ALDH1A1 (0.70) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL1108171 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRGFERMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521004-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2009-04-21 US disclosed
EP-1674460-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2009-01-21 EP disclosed
US-20070215844-A1 Chromene Compound TOKUYAMA CORPORATION (JP) 2007-09-20 US disclosed
EP-1674460-A1 CHROMENE COMPOUND Tokuyama Corporation (JP) 2006-06-28 EP disclosed
EP-1054010-B1 Chromene compound TOKUYAMA CORP (JP) 2002-07-24 EP disclosed
US-6340765-B1 PHOTOCHROMIC DYES AND DEVELOPMENT TOKUYAMA CORPORATION (JP) 2002-01-22 US disclosed
EP-1054010-A1 Chromene compound TOKUYAMA CORPORATION (JP) 2000-11-22 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-20070215844-A1 Chromene Compound CRY2, TYR, CRY1 ALDH1A1 2110/4885L3MBTL1 3117/4885TSHR 1725/4885

“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.