SCHEMBL20174704

SCHEMBL20174704

OC1(c2ccccc2-c2cc3ccccc3s2)c2ccccc2-c2c(Br)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.45
APP P05067 2/20 0.41
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CTRC Q99895 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
HDAC4 P56524 2/20 0.34
ERN1 O75460 2/20 0.33
CA7 P43166 1/20 0.33
PLAU P00749 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL17533941 0.85 APP (0.47) APPHSD17B1HSD17B2PIK3R1PIK3CA
SCHEMBL20199302 0.81 PDK2 (0.46) PDK2APPHSD17B1HSD17B2PIK3R1
SCHEMBL13319550 0.75 PIK3R1 (0.49) APPHSD17B1HSD17B2PIK3R1PIK3CA
SCHEMBL19683792 0.75 PDK2 (0.51) PDK2CA1CA2CA9CA7
SCHEMBL20175215 0.75 PDK2 (0.40) PDK2APPHSD17B1HSD17B2PIK3R1
SCHEMBL22522739 0.75 PDK2 (0.48) PDK2CA1CA2CA9NQO1
SCHEMBL22522913 0.75 PDK2 (0.48) PDK2HSD17B1HSD17B2CA1CA2
SCHEMBL19760327 0.74 PDK2 (0.45) PDK2PIK3CACA1CA2CA9
SCHEMBL15587219 0.73 PDK2 (0.55) PDK2CA1CA2CA9HDAC4
SCHEMBL20174708 0.73 PDK2 (0.46) PDK2APPCA1CA2CA9

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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE 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 (2 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885APP 2417/4885HSD17B1 372/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885APP 2417/4885HSD17B1 372/4885

“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.