SCHEMBL6344692

SCHEMBL6344692

Cc1c(O)cccc1O.OCCNc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
RAB9A P51151 7/20 0.50
GAA P10253 4/20 0.50
INSR P06213 1/20 0.50
IGF1R P08069 1/20 0.50
SRC P12931 1/20 0.50
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 4/20 0.49
CASP1 P29466 3/20 0.49
USP2 O75604 2/20 0.49
HBB P68871 2/20 0.49
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL34000 0.86 ALDH1A1 (0.55) MAPTRAB9AGAAINSRIGF1R
SCHEMBL29355053 0.86 ALDH1A1 (0.55) MAPTRAB9AGAAINSRIGF1R
Hydrochloric Acid SCHEMBL697970 0.84 ADRA2A (0.55) MAPTRAB9AGAAINSRIGF1R
Hydrochloric Acid SCHEMBL29358228 0.84 ADRA2A (0.55) MAPTRAB9AGAAINSRIGF1R
SCHEMBL3955565 0.80 ALDH1A1 (0.46) MAPTRAB9AGAAINSRIGF1R
SCHEMBL6279763 0.78 ADRA2A (0.49) MAPTRAB9AGAAINSRIGF1R
SCHEMBL11971676 0.77 HSP90AB1 (0.55) MAPTRAB9AGAAINSRIGF1R
SCHEMBL8442813 0.77 MAPT (0.67) MAPTRAB9AGAAALDH1A1MEN1
SCHEMBL11972261 0.76 ALDH1A1 (0.53) MAPTRAB9AGAAINSRIGF1R
SCHEMBL3880539 0.75 CYP3A4 (0.69) MAPTRAB9AGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050226838-A1 Hair treatment compositions containing N-hydroxy-alkyl-O-benzyl chitosans and methods of using same WELLA AG (DE) 2005-10-13 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-20050226838-A1 Hair treatment compositions containing N-hydroxy-alkyl-O-benzyl chitosans and methods of using same CYP8B1, HAAO, TYR MAPT 3864/4885RAB9A 4214/4885GAA 2505/4885

“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.