SCHEMBL4909643

SCHEMBL4909643

FCc1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
CYP2A6 P11509 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ERN1 O75460 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NQO1 P15559 1/20 0.40
NQO2 P16083 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
AGXT P21549 1/20 0.38
ADRB2 P07550 1/20 0.38
PIK3R1 P27986 1/20 0.37

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
SCHEMBL477484 0.83 CYP2A6 (0.53) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL19133572 0.81 APP (0.57) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL12854022 0.79 APP (0.55) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL4049432 0.78 BCL2L1 (0.46) APPCYP2A6HSD17B1HSD17B2ERN1
SCHEMBL27989389 0.77 APP (0.57) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL28073078 0.77 CYP1A1 (0.53) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL2208502 0.76 APP (0.40) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL29732980 0.74 APP (0.63) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL845603 0.74 APP (0.63) APPCYP2A6ASIC3LOXL2HSD17B1
SCHEMBL4909976 0.73 CA2 (0.42) APPHSD17B1HSD17B2ERN1CA1

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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 APP 1/4885CYP2A6 3574/4885ASIC3 3670/4885

“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.