SCHEMBL2800503

SCHEMBL2800503

Oc1nc2c(c3ccccc13)CCCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.51
ACHE P22303 8/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CHRNE Q04844 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CACNB4 O00305 1/20 0.49
CACNA1A O00555 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
ABCC4 O15439 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNG3 O60359 1/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1H O95180 1/20 0.49
APP P05067 1/20 0.49
FABP1 P07148 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
SCHEMBL2801708 0.98 ACHE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL1654050 0.94 BCHE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL3263191 0.76 ACHE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL3263193 0.76 ACHE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL639023 0.75 CHRNE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL31429804 0.73 BCHE (0.65) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL8349281 0.72 BCHE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL13169612 0.72 BCHE (0.50) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL8349279 0.72 ACHE (0.54) BCHEACHEALDH1A1TSHRHSD17B10
Formic Acid SCHEMBL30509188 0.71 ALDH1A1 (0.50) BCHEACHEALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232246-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
US-20100168384-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 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-20100168384-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS BCHE 3098/4885ACHE 3938/4885ALDH1A1 2527/4885

“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.