SCHEMBL20175216

SCHEMBL20175216

Clc1ccc(-c2cc3ccccc3s2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
APP P05067 2/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
ACLY P53396 4/20 0.40
ERN1 O75460 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
NQO1 P15559 1/20 0.38
NQO2 P16083 1/20 0.38
CYP2A6 P11509 1/20 0.37
PRKDC P78527 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL2150806 0.83 PIK3R1 (0.57) PIK3R1PIK3CAAPPCA2CA1
SCHEMBL13319550 0.81 PIK3R1 (0.49) PIK3R1PIK3CAAPPCA2CA1
SCHEMBL21870995 0.81 APP (0.50) APPCA2CA1CA9ACLY
SCHEMBL22697829 0.77 ERN1 (0.54) APPCA2CA1CA9ACLY
SCHEMBL25744548 0.76 ACLY (0.42) APPCA2CA1CA9ACLY
SCHEMBL2150858 0.75 APP (0.50) PIK3R1PIK3CAAPPCA2CA1
SCHEMBL25744547 0.75 CASR (0.42) APPCA1CA9ACLYERN1
SCHEMBL19133572 0.74 APP (0.57) PIK3R1PIK3CAAPPCA2CA1
SCHEMBL27989389 0.74 APP (0.57) PIK3R1PIK3CAAPPCA2CA1
SCHEMBL11554791 0.74 APP (0.68) APPCA2CA1CA9ACLY

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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 PIK3R1 4859/4885PIK3CA 4598/4885APP 2250/4885

“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.