SCHEMBL14599487

SCHEMBL14599487

Bc1csc2cc(OC)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
ESR1 P03372 1/20 0.40
TSHR P16473 2/20 0.40
PRNP P04156 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BACE1 P56817 1/20 0.40
PSMB8 P28062 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL34459993 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL28633959 0.79 ESR1 (0.49) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL5544081 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL4797361 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL29768596 0.78 TSHR (0.46) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL8056400 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL28462880 0.78 ALDH1A1 (0.68) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL5542992 0.78 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10ESR1TSHR
SCHEMBL5815037 0.75 MAOB (0.44) ALDH1A1MAPTHSD17B10NPSR1TUBB4A
SCHEMBL4796572 0.74 CYP2A6 (0.51) ALDH1A1MAPTHSD17B10ESR1TSHR

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-20070021492-A1 e.g. sulfamic acid, 1,2,3,4-tetrahydro-dibenzothiophene-7-yl-1,1-dioxide ester; estrogen-dependent diseases LABORATOIRE THERAMEX (MC) 2007-01-25 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-20070021492-A1 e.g. sulfamic acid, 1,2,3,4-tetrahydro-dibenzothiophene-7-yl-1,1-dioxide ester; estrogen-dependent diseases SULT1E1, SULT1A1, SULT2A1 ALDH1A1 76/4885MAPT 1970/4885HSD17B10 340/4885

“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.