SCHEMBL20175214

SCHEMBL20175214

OC1(c2cc(Cl)ccc2-c2csc3ccccc23)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.41
APP P05067 2/20 0.35
CYP2C9 P11712 1/20 0.35
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
ERN1 O75460 2/20 0.33
MAPT P10636 2/20 0.32
MAOB P27338 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
CYP2A6 P11509 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL20174698 0.93 PDK2 (0.47) PDK2APPCYP2C9ERN1MAPT
SCHEMBL20175215 0.78 PDK2 (0.40) PDK2APPAKR1A1AKR1B1ERN1
SCHEMBL20175199 0.77 PDK2 (0.41) PDK2AKR1A1AKR1B1MAOBDRD2
SCHEMBL19167331 0.75 PDK2 (0.49) PDK2MAPTMDM2
SCHEMBL19167901 0.75 PDK2 (0.49) PDK2MAPTMDM2
SCHEMBL20174708 0.74 PDK2 (0.46) PDK2APPCYP2C9ERN1MAPT
SCHEMBL20175211 0.74 CYP2A6 (0.41) APPCYP2C9ERN1MAPTMAOB
SCHEMBL20373828 0.74 PDK2 (0.54) PDK2MAPT
SCHEMBL20687371 0.74 PDK2 (0.54) PDK2AKR1A1AKR1B1
SCHEMBL20199303 0.74 PDK2 (0.35) PDK2APPCYP2C9ERN1MAPT

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 PDK2 580/4885APP 2250/4885CYP2C9 309/4885

“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.