SCHEMBL61554

SCHEMBL61554

Cc1cc(N(C)C)ccc1C1=C(O)C(c2ccc(N(C)C)cc2C)=C1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
APP P05067 2/20 0.36
TERT O14746 1/20 0.36
PDK2 Q15119 1/20 0.36
PTGS1 P23219 1/20 0.35
APAF1 O14727 1/20 0.35
CRHR1 P34998 1/20 0.35
ESR2 Q92731 4/20 0.33
ESR1 P03372 3/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14594139 0.83 ALDH1A1 (0.43) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL30966777 0.83 ALDH1A1 (0.50) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL13990194 0.83 ALDH1A1 (0.50) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL11964694 0.81 ALDH1A1 (0.33) MAPTALDH1A1TSHRHSD17B10APP
SCHEMBL11964700 0.80 CNR1 (0.36) MAPTALDH1A1TSHRHSD17B10APP
SCHEMBL7060856 0.75 MAPT (0.44) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL13569256 0.74 ALDH1A1 (0.42) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL172750 0.74 TDP1 (0.52) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL9750141 0.73 PDK2 (0.44) MAPTALDH1A1TSHRHSD17B10ALOX15
SCHEMBL10667441 0.73 ALDH1A1 (0.41) MAPTALDH1A1TSHRHSD17B10ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 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-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAPT 2743/4885ALDH1A1 1435/4885TSHR 3983/4885

“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.