SCHEMBL20175215

SCHEMBL20175215

OC1(c2cc(Cl)ccc2-c2cc3ccccc3s2)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.40
ACLY P53396 3/20 0.37
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
APP P05067 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MDM2 Q00987 1/20 0.33
ERN1 O75460 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL20199302 0.93 PDK2 (0.46) PDK2PIK3R1PIK3CAAPPERN1
SCHEMBL17533941 0.83 APP (0.47) PIK3R1PIK3CAAPPERN1HSD17B1
SCHEMBL20175214 0.78 PDK2 (0.41) PDK2APPMDM2ERN1AKR1A1
SCHEMBL20175209 0.75 MAOB (0.46) PDK2
SCHEMBL20174704 0.75 PDK2 (0.45) PDK2PIK3R1PIK3CAAPPERN1
SCHEMBL19167901 0.74 PDK2 (0.49) PDK2MDM2
SCHEMBL19167331 0.74 PDK2 (0.49) PDK2MDM2
SCHEMBL20373828 0.73 PDK2 (0.54) PDK2GAA
SCHEMBL20175216 0.73 PIK3R1 (0.47) ACLYPIK3R1PIK3CAAPPERN1
SCHEMBL20687371 0.73 PDK2 (0.54) PDK2AKR1A1AKR1B1

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
EP-3360868-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-09-20 EP disclosed
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 PDK2 580/4885ACLY 3396/4885PIK3R1 4859/4885

“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.